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

Systemtic Name: 1-[4-butanoyl-1-methyl-2-(2-sulfanylethyl)piperazin-2-yl]-3-phenethyl-urea Openeye Name: 1-[4-butanoyl-1-methyl-2-(2-sulfanylethyl)piperazin-2-yl]-3-phenethyl-urea CAS Name: 1-[2-(2-mercaptoethyl)-1-methyl-4-(1-oxobutyl)-2-piperazinyl]-3-phenethylurea IUPAC Name: 1-[4-butanoyl-1-methyl-2-(2-sulfanylethyl)piperazin-2-yl]-3-phenethylurea Traditional Name: 1-[4-butyryl-2-(2-mercaptoethyl)-1-methyl-piperazin-2-yl]-3-phenethyl-urea Formula: C20H32N4O2S MolecularWeight: 392.55868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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