1-[4-[4-(4-tert-butylphenyl)carbonylpiperazin-1-yl]phenyl]-3-(4-methylsulfanylphenyl)urea

Systemtic Name: 1-[4-[4-(4-tert-butylphenyl)carbonylpiperazin-1-yl]phenyl]-3-(4-methylsulfanylphenyl)urea Openeye Name: 1-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]-3-(4-methylsulfanylphenyl)urea CAS Name: 1-[4-[4-[(4-tert-butylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-3-[4-(methylthio)phenyl]urea IUPAC Name: 1-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]-3-(4-methylsulfanylphenyl)urea Traditional Name: 1-[4-[4-(4-tert-butylbenzoyl)piperazino]phenyl]-3-[4-(methylthio)phenyl]urea Formula: C29H34N4O2S MolecularWeight: 502.67086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)SC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)SC

InChI

InChI=1S/C29H34N4O2S/c1-29(2,3)22-7-5-21(6-8-22)27(34)33-19-17-32(18-20-33)25-13-9-23(10-14-25)30-28(35)31-24-11-15-26(36-4)16-12-24/h5-16H,17-20H2,1-4H3,(H2,30,31,35)