N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[6-[[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitro-phenyl]methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[6-[[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitro-phenyl]methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[6-[[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitro-phenyl]methyleneamino]-1,3-benzothiazol-2-yl]sulfanyl]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[6-[[4-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-3-nitrophenyl]methylideneamino]-1,3-benzothiazol-2-yl]thio]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[6-[[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrophenyl]methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]acetamide Traditional Name: N-homoveratryl-2-[[6-[[4-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-3-nitro-benzylidene]amino]-1,3-benzothiazol-2-yl]thio]acetamide Formula: C29H26N6O5S4 MolecularWeight: 666.81394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SC2=C(C=C(C=C2)C=NC3=CC4=C(C=C3)N=C(S4)SCC(=O)NCCC5=CC(=C(C=C5)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(S1)SC2=C(C=C(C=C2)C=NC3=CC4=C(C=C3)N=C(S4)SCC(=O)NCCC5=CC(=C(C=C5)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C29H26N6O5S4/c1-17-33-34-29(42-17)43-25-9-5-19(12-22(25)35(37)38)15-31-20-6-7-21-26(14-20)44-28(32-21)41-16-27(36)30-11-10-18-4-8-23(39-2)24(13-18)40-3/h4-9,12-15H,10-11,16H2,1-3H3,(H,30,36)