2-(4-tert-butylphenyl)sulfanyl-N-[4-[4-(3-methylphenyl)carbonylpiperazin-1-yl]phenyl]ethanamide

Systemtic Name: 2-(4-tert-butylphenyl)sulfanyl-N-[4-[4-(3-methylphenyl)carbonylpiperazin-1-yl]phenyl]ethanamide Openeye Name: 2-(4-tert-butylphenyl)sulfanyl-N-[4-[4-(3-methylbenzoyl)piperazin-1-yl]phenyl]acetamide CAS Name: 2-[(4-tert-butylphenyl)thio]-N-[4-[4-[(3-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]acetamide IUPAC Name: 2-(4-tert-butylphenyl)sulfanyl-N-[4-[4-(3-methylbenzoyl)piperazin-1-yl]phenyl]acetamide Traditional Name: 2-[(4-tert-butylphenyl)thio]-N-[4-(4-m-toluoylpiperazino)phenyl]acetamide Formula: C30H35N3O2S MolecularWeight: 501.6828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C30H35N3O2S/c1-22-6-5-7-23(20-22)29(35)33-18-16-32(17-19-33)26-12-10-25(11-13-26)31-28(34)21-36-27-14-8-24(9-15-27)30(2,3)4/h5-15,20H,16-19,21H2,1-4H3,(H,31,34)