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

Systemtic Name: 2-(4-tert-butylphenyl)sulfanyl-N-[4-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]phenyl]ethanamide Openeye Name: 2-(4-tert-butylphenyl)sulfanyl-N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]acetamide CAS Name: 2-[(4-tert-butylphenyl)thio]-N-[4-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]phenyl]acetamide IUPAC Name: 2-(4-tert-butylphenyl)sulfanyl-N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]acetamide Traditional Name: 2-[(4-tert-butylphenyl)thio]-N-[4-(4-p-anisoylpiperazino)phenyl]acetamide Formula: C30H35N3O3S MolecularWeight: 517.6822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C30H35N3O3S/c1-30(2,3)23-7-15-27(16-8-23)37-21-28(34)31-24-9-11-25(12-10-24)32-17-19-33(20-18-32)29(35)22-5-13-26(36-4)14-6-22/h5-16H,17-21H2,1-4H3,(H,31,34)