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

Systemtic Name: 4-(4-methoxyphenyl)sulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-(4-methoxyphenyl)sulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-[(4-methoxyphenyl)thio]-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-(4-methoxyphenyl)sulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-benzyl-4-[(4-methoxyphenyl)thio]-N-(4-methyl-1,3-benzothiazol-2-yl)butyramide Formula: C26H26N2O2S2 MolecularWeight: 462.62684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCCSC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCCSC4=CC=C(C=C4)OC

InChI

InChI=1S/C26H26N2O2S2/c1-19-8-6-11-23-25(19)27-26(32-23)28(18-20-9-4-3-5-10-20)24(29)12-7-17-31-22-15-13-21(30-2)14-16-22/h3-6,8-11,13-16H,7,12,17-18H2,1-2H3