1-phenethyl-3-[4-(3-phenylpropanoyl)-2-(2-sulfanylethyl)piperazin-2-yl]urea

Systemtic Name: 1-phenethyl-3-[4-(3-phenylpropanoyl)-2-(2-sulfanylethyl)piperazin-2-yl]urea Openeye Name: 1-phenethyl-3-[4-(3-phenylpropanoyl)-2-(2-sulfanylethyl)piperazin-2-yl]urea CAS Name: 1-[2-(2-mercaptoethyl)-4-(1-oxo-3-phenylpropyl)-2-piperazinyl]-3-phenethylurea IUPAC Name: 1-phenethyl-3-[4-(3-phenylpropanoyl)-2-(2-sulfanylethyl)piperazin-2-yl]urea Traditional Name: 1-[4-hydrocinnamoyl-2-(2-mercaptoethyl)piperazin-2-yl]-3-phenethyl-urea Formula: C24H32N4O2S MolecularWeight: 440.60148

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)(CCS)NC(=O)NCCC2=CC=CC=C2)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC(N1)(CCS)NC(=O)NCCC2=CC=CC=C2)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C24H32N4O2S/c29-22(12-11-20-7-3-1-4-8-20)28-17-16-26-24(19-28,14-18-31)27-23(30)25-15-13-21-9-5-2-6-10-21/h1-10,26,31H,11-19H2,(H2,25,27,30)