3-acetamido-4-(4-chlorophenyl)sulfanyl-N-[3-[ethyl-(3-methylphenyl)amino]propyl]benzamide

Systemtic Name: 3-acetamido-4-(4-chlorophenyl)sulfanyl-N-[3-[ethyl-(3-methylphenyl)amino]propyl]benzamide Openeye Name: 3-acetamido-4-(4-chlorophenyl)sulfanyl-N-[3-(N-ethyl-3-methyl-anilino)propyl]benzamide CAS Name: 3-acetamido-4-[(4-chlorophenyl)thio]-N-[3-(N-ethyl-3-methylanilino)propyl]benzamide IUPAC Name: 3-acetamido-4-(4-chlorophenyl)sulfanyl-N-[3-(N-ethyl-3-methylanilino)propyl]benzamide Traditional Name: 3-acetamido-4-[(4-chlorophenyl)thio]-N-[3-(N-ethyl-3-methyl-anilino)propyl]benzamide Formula: C27H30ClN3O2S MolecularWeight: 496.064

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCNC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Cl)NC(=O)C)C3=CC=CC(=C3)C

Isomeric SMILES

CCN(CCCNC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Cl)NC(=O)C)C3=CC=CC(=C3)C

InChI

InChI=1S/C27H30ClN3O2S/c1-4-31(23-8-5-7-19(2)17-23)16-6-15-29-27(33)21-9-14-26(25(18-21)30-20(3)32)34-24-12-10-22(28)11-13-24/h5,7-14,17-18H,4,6,15-16H2,1-3H3,(H,29,33)(H,30,32)