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

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(4-chlorophenyl)sulfanyl-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[(4-chlorophenyl)thio]-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(4-chlorophenyl)sulfanyl-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-[(4-chlorophenyl)thio]-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)propionamide Formula: C17H14ClN3O4S2 MolecularWeight: 423.89376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)CCSC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)CCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H14ClN3O4S2/c1-25-13-8-11(21(23)24)9-14-16(13)20-17(27-14)19-15(22)6-7-26-12-4-2-10(18)3-5-12/h2-5,8-9H,6-7H2,1H3,(H,19,20,22)