3-[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-butan-2-yl]-1-phenethyl-1-(2-sulfanylethyl)urea

Systemtic Name: 3-[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-butan-2-yl]-1-phenethyl-1-(2-sulfanylethyl)urea Openeye Name: 3-[1-(4-methylpiperazine-1-carbonyl)propyl]-1-phenethyl-1-(2-sulfanylethyl)urea CAS Name: 1-(2-mercaptoethyl)-3-[1-(4-methyl-1-piperazinyl)-1-oxobutan-2-yl]-1-phenethylurea IUPAC Name: 3-[1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]-1-phenethyl-1-(2-sulfanylethyl)urea Traditional Name: 1-(2-mercaptoethyl)-3-[1-(4-methylpiperazine-1-carbonyl)propyl]-1-phenethyl-urea Formula: C20H32N4O2S MolecularWeight: 392.55868

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)C)NC(=O)N(CCC2=CC=CC=C2)CCS

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)C)NC(=O)N(CCC2=CC=CC=C2)CCS

InChI

InChI=1S/C20H32N4O2S/c1-3-18(19(25)23-13-11-22(2)12-14-23)21-20(26)24(15-16-27)10-9-17-7-5-4-6-8-17/h4-8,18,27H,3,9-16H2,1-2H3,(H,21,26)