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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC1C(NCCN1C(=O)CCC2=CC=CC=C2)NC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CSCCC1C(NCCN1C(=O)CCC2=CC=CC=C2)NC(=O)NCCC3=CC=CC=C3

InChI

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