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

Systemtic Name: 1-[1-methyl-4-propanoyl-2-(2-sulfanylethyl)piperazin-2-yl]-3-phenethyl-urea Openeye Name: 1-[1-methyl-4-propanoyl-2-(2-sulfanylethyl)piperazin-2-yl]-3-phenethyl-urea CAS Name: 1-[2-(2-mercaptoethyl)-1-methyl-4-(1-oxopropyl)-2-piperazinyl]-3-phenethylurea IUPAC Name: 1-[1-methyl-4-propanoyl-2-(2-sulfanylethyl)piperazin-2-yl]-3-phenethylurea Traditional Name: 1-[2-(2-mercaptoethyl)-1-methyl-4-propionyl-piperazin-2-yl]-3-phenethyl-urea Formula: C19H30N4O2S MolecularWeight: 378.5321

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(C(C1)(CCS)NC(=O)NCCC2=CC=CC=C2)C

Isomeric SMILES

CCC(=O)N1CCN(C(C1)(CCS)NC(=O)NCCC2=CC=CC=C2)C

InChI

InChI=1S/C19H30N4O2S/c1-3-17(24)23-13-12-22(2)19(15-23,10-14-26)21-18(25)20-11-9-16-7-5-4-6-8-16/h4-8,26H,3,9-15H2,1-2H3,(H2,20,21,25)