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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=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=C(C=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/c1-22-5-7-23(8-6-22)29(35)33-19-17-32(18-20-33)26-13-11-25(12-14-26)31-28(34)21-36-27-15-9-24(10-16-27)30(2,3)4/h5-16H,17-21H2,1-4H3,(H,31,34)