3-(4-chlorophenyl)sulfanyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(phenylmethyl)propanamide

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-3-(4-chlorophenyl)sulfanyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[(4-chlorophenyl)thio]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-3-(4-chlorophenyl)sulfanyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-benzyl-3-[(4-chlorophenyl)thio]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)propionamide Formula: C25H23ClN2O3S2 MolecularWeight: 499.04472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCSC4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H23ClN2O3S2/c1-30-20-12-13-21(31-2)24-23(20)27-25(33-24)28(16-17-6-4-3-5-7-17)22(29)14-15-32-19-10-8-18(26)9-11-19/h3-13H,14-16H2,1-2H3