4-(4-methoxyphenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)butanamide

Systemtic Name: 4-(4-methoxyphenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)butanamide Openeye Name: 4-(4-methoxyphenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)butanamide CAS Name: 4-[(4-methoxyphenyl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)butanamide IUPAC Name: 4-(4-methoxyphenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)butanamide Traditional Name: 4-[(4-methoxyphenyl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)butyramide Formula: C24H22N4O4S2 MolecularWeight: 494.58588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)SCCCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H22N4O4S2/c1-32-19-8-10-20(11-9-19)33-14-4-6-23(29)27(16-17-5-2-3-13-25-17)24-26-21-12-7-18(28(30)31)15-22(21)34-24/h2-3,5,7-13,15H,4,6,14,16H2,1H3