3-acetamido-N-[2-[bis(2-methylpropyl)amino]ethyl]-4-(4-methylphenyl)sulfanyl-benzamide

Systemtic Name: 3-acetamido-N-[2-[bis(2-methylpropyl)amino]ethyl]-4-(4-methylphenyl)sulfanyl-benzamide Openeye Name: 3-acetamido-N-[2-(diisobutylamino)ethyl]-4-(p-tolylsulfanyl)benzamide CAS Name: 3-acetamido-N-[2-[bis(2-methylpropyl)amino]ethyl]-4-[(4-methylphenyl)thio]benzamide IUPAC Name: 3-acetamido-N-[2-[bis(2-methylpropyl)amino]ethyl]-4-(4-methylphenyl)sulfanylbenzamide Traditional Name: 3-acetamido-N-[2-(diisobutylamino)ethyl]-4-(p-tolylthio)benzamide Formula: C26H37N3O2S MolecularWeight: 455.65588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37N3O2S/c1-18(2)16-29(17-19(3)4)14-13-27-26(31)22-9-12-25(24(15-22)28-21(6)30)32-23-10-7-20(5)8-11-23/h7-12,15,18-19H,13-14,16-17H2,1-6H3,(H,27,31)(H,28,30)