3-acetamido-N-(3-methylbutyl)-4-(4-methylphenyl)sulfanyl-benzamide

Systemtic Name: 3-acetamido-N-(3-methylbutyl)-4-(4-methylphenyl)sulfanyl-benzamide Openeye Name: 3-acetamido-N-isopentyl-4-(p-tolylsulfanyl)benzamide CAS Name: 3-acetamido-N-(3-methylbutyl)-4-[(4-methylphenyl)thio]benzamide IUPAC Name: 3-acetamido-N-(3-methylbutyl)-4-(4-methylphenyl)sulfanylbenzamide Traditional Name: 3-acetamido-N-isoamyl-4-(p-tolylthio)benzamide Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCCC(C)C)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCCC(C)C)NC(=O)C

InChI

InChI=1S/C21H26N2O2S/c1-14(2)11-12-22-21(25)17-7-10-20(19(13-17)23-16(4)24)26-18-8-5-15(3)6-9-18/h5-10,13-14H,11-12H2,1-4H3,(H,22,25)(H,23,24)