3-(4-methoxyphenyl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)propanamide

Systemtic Name: 3-(4-methoxyphenyl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-3-(4-methoxyphenyl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[(4-methoxyphenyl)thio]-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-3-(4-methoxyphenyl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-benzyl-3-[(4-methoxyphenyl)thio]-N-(6-methyl-1,3-benzothiazol-2-yl)propionamide Formula: C25H24N2O2S2 MolecularWeight: 448.60026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)CCSC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)CCSC4=CC=C(C=C4)OC

InChI

InChI=1S/C25H24N2O2S2/c1-18-8-13-22-23(16-18)31-25(26-22)27(17-19-6-4-3-5-7-19)24(28)14-15-30-21-11-9-20(29-2)10-12-21/h3-13,16H,14-15,17H2,1-2H3