4-(4-chlorophenyl)sulfanyl-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)butanamide Openeye Name: 4-(4-chlorophenyl)sulfanyl-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-[(4-chlorophenyl)thio]-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(4-chlorophenyl)sulfanyl-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-[(4-chlorophenyl)thio]-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)butyramide Formula: C18H16ClN3O4S2 MolecularWeight: 437.92034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)CCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)CCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClN3O4S2/c1-26-14-9-12(22(24)25)10-15-17(14)21-18(28-15)20-16(23)3-2-8-27-13-6-4-11(19)5-7-13/h4-7,9-10H,2-3,8H2,1H3,(H,20,21,23)