N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-N-(phenylmethyl)propanamide

Systemtic Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-(p-tolylsulfanyl)propanamide CAS Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)thio]-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide Traditional Name: N-benzyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-(p-tolylthio)propionamide Formula: C26H26N2O2S2 MolecularWeight: 462.62684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)N(CC2=CC=CC=C2)C3=NC4=C(C=CC(=C4S3)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)N(CC2=CC=CC=C2)C3=NC4=C(C=CC(=C4S3)C)OC

InChI

InChI=1S/C26H26N2O2S2/c1-18-9-12-21(13-10-18)31-16-15-23(29)28(17-20-7-5-4-6-8-20)26-27-24-22(30-3)14-11-19(2)25(24)32-26/h4-14H,15-17H2,1-3H3