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

Systemtic Name: 1-[1-methyl-4-(3-phenylpropanoyl)-2-(2-sulfanylethyl)piperazin-2-yl]-3-phenethyl-urea Openeye Name: 1-[1-methyl-4-(3-phenylpropanoyl)-2-(2-sulfanylethyl)piperazin-2-yl]-3-phenethyl-urea CAS Name: 1-[2-(2-mercaptoethyl)-1-methyl-4-(1-oxo-3-phenylpropyl)-2-piperazinyl]-3-phenethylurea IUPAC Name: 1-[1-methyl-4-(3-phenylpropanoyl)-2-(2-sulfanylethyl)piperazin-2-yl]-3-phenethylurea Traditional Name: 1-[4-hydrocinnamoyl-2-(2-mercaptoethyl)-1-methyl-piperazin-2-yl]-3-phenethyl-urea Formula: C25H34N4O2S MolecularWeight: 454.62806

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1(CCS)NC(=O)NCCC2=CC=CC=C2)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1(CCS)NC(=O)NCCC2=CC=CC=C2)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C25H34N4O2S/c1-28-17-18-29(23(30)13-12-21-8-4-2-5-9-21)20-25(28,15-19-32)27-24(31)26-16-14-22-10-6-3-7-11-22/h2-11,32H,12-20H2,1H3,(H2,26,27,31)