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

Systemtic Name: 2-[[6-[[4-(dimethylamino)-3-nitro-phenyl]methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[6-[[4-(dimethylamino)-3-nitro-phenyl]methyleneamino]-1,3-benzothiazol-2-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[6-[[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-1,3-benzothiazol-2-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[6-[[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[6-[[4-(dimethylamino)-3-nitro-benzylidene]amino]-1,3-benzothiazol-2-yl]thio]-N-phenethyl-acetamide Formula: C26H25N5O3S2 MolecularWeight: 519.6384

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C=NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NCCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C=NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NCCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H25N5O3S2/c1-30(2)22-11-8-19(14-23(22)31(33)34)16-28-20-9-10-21-24(15-20)36-26(29-21)35-17-25(32)27-13-12-18-6-4-3-5-7-18/h3-11,14-16H,12-13,17H2,1-2H3,(H,27,32)