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

Systemtic Name: N-(4-methoxyphenyl)-2-[[6-[(3-nitro-4-pyridin-2-ylsulfanyl-phenyl)methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanamide Openeye Name: N-(4-methoxyphenyl)-2-[[6-[[3-nitro-4-(2-pyridylsulfanyl)phenyl]methyleneamino]-1,3-benzothiazol-2-yl]sulfanyl]acetamide CAS Name: N-(4-methoxyphenyl)-2-[[6-[[3-nitro-4-(2-pyridinylthio)phenyl]methylideneamino]-1,3-benzothiazol-2-yl]thio]acetamide IUPAC Name: N-(4-methoxyphenyl)-2-[[6-[(3-nitro-4-pyridin-2-ylsulfanylphenyl)methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]acetamide Traditional Name: N-(4-methoxyphenyl)-2-[[6-[[3-nitro-4-(2-pyridylthio)benzylidene]amino]-1,3-benzothiazol-2-yl]thio]acetamide Formula: C28H21N5O4S3 MolecularWeight: 587.69244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)N=CC4=CC(=C(C=C4)SC5=CC=CC=N5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)N=CC4=CC(=C(C=C4)SC5=CC=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C28H21N5O4S3/c1-37-21-9-6-19(7-10-21)31-26(34)17-38-28-32-22-11-8-20(15-25(22)40-28)30-16-18-5-12-24(23(14-18)33(35)36)39-27-4-2-3-13-29-27/h2-16H,17H2,1H3,(H,31,34)