1-(3-chlorophenyl)-3-[[4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanoyl]amino]thiourea

Systemtic Name: 1-(3-chlorophenyl)-3-[[4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanoyl]amino]thiourea Openeye Name: 1-[[4-(4-acetylpiperazin-1-yl)-4-oxo-butanoyl]amino]-3-(3-chlorophenyl)thiourea CAS Name: 1-[[4-(4-acetyl-1-piperazinyl)-1,4-dioxobutyl]amino]-3-(3-chlorophenyl)thiourea IUPAC Name: 1-[[4-(4-acetylpiperazin-1-yl)-4-oxobutanoyl]amino]-3-(3-chlorophenyl)thiourea Traditional Name: 1-[[4-(4-acetylpiperazino)-4-keto-butanoyl]amino]-3-(3-chlorophenyl)thiourea Formula: C17H22ClN5O3S MolecularWeight: 411.90628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CCC(=O)NNC(=S)NC2=CC(=CC=C2)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CCC(=O)NNC(=S)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H22ClN5O3S/c1-12(24)22-7-9-23(10-8-22)16(26)6-5-15(25)20-21-17(27)19-14-4-2-3-13(18)11-14/h2-4,11H,5-10H2,1H3,(H,20,25)(H2,19,21,27)