2-[[6-[[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[[6-[[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[6-[[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methyleneamino]-1,3-benzothiazol-2-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[6-[[4-(1,3-benzothiazol-2-ylthio)-3-nitrophenyl]methylideneamino]-1,3-benzothiazol-2-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[6-[[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[6-[[4-(1,3-benzothiazol-2-ylthio)-3-nitro-benzylidene]amino]-1,3-benzothiazol-2-yl]thio]-N-phenethyl-acetamide Formula: C31H23N5O3S4 MolecularWeight: 641.80602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CSC2=NC3=C(S2)C=C(C=C3)N=CC4=CC(=C(C=C4)SC5=NC6=CC=CC=C6S5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CSC2=NC3=C(S2)C=C(C=C3)N=CC4=CC(=C(C=C4)SC5=NC6=CC=CC=C6S5)[N+](=O)[O-]

InChI

InChI=1S/C31H23N5O3S4/c37-29(32-15-14-20-6-2-1-3-7-20)19-40-30-34-24-12-11-22(17-28(24)43-30)33-18-21-10-13-27(25(16-21)36(38)39)42-31-35-23-8-4-5-9-26(23)41-31/h1-13,16-18H,14-15,19H2,(H,32,37)