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

Systemtic Name: 2-(4-tert-butylphenyl)sulfanyl-N-[4-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]phenyl]ethanamide Openeye Name: 2-(4-tert-butylphenyl)sulfanyl-N-[4-[4-(3-methoxybenzoyl)piperazin-1-yl]phenyl]acetamide CAS Name: 2-[(4-tert-butylphenyl)thio]-N-[4-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]phenyl]acetamide IUPAC Name: 2-(4-tert-butylphenyl)sulfanyl-N-[4-[4-(3-methoxybenzoyl)piperazin-1-yl]phenyl]acetamide Traditional Name: 2-[(4-tert-butylphenyl)thio]-N-[4-(4-m-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(=CC=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(=CC=C4)OC

InChI

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