1-[[4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanoyl]amino]-3-(2-ethyl-6-methyl-phenyl)thiourea

Systemtic Name: 1-[[4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanoyl]amino]-3-(2-ethyl-6-methyl-phenyl)thiourea Openeye Name: 1-[[4-(4-acetylpiperazin-1-yl)-4-oxo-butanoyl]amino]-3-(2-ethyl-6-methyl-phenyl)thiourea CAS Name: 1-[[4-(4-acetyl-1-piperazinyl)-1,4-dioxobutyl]amino]-3-(2-ethyl-6-methylphenyl)thiourea IUPAC Name: 1-[[4-(4-acetylpiperazin-1-yl)-4-oxobutanoyl]amino]-3-(2-ethyl-6-methylphenyl)thiourea Traditional Name: 1-[[4-(4-acetylpiperazino)-4-keto-butanoyl]amino]-3-(2-ethyl-6-methyl-phenyl)thiourea Formula: C20H29N5O3S MolecularWeight: 419.54096

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)CCC(=O)N2CCN(CC2)C(=O)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)CCC(=O)N2CCN(CC2)C(=O)C)C

InChI

InChI=1S/C20H29N5O3S/c1-4-16-7-5-6-14(2)19(16)21-20(29)23-22-17(27)8-9-18(28)25-12-10-24(11-13-25)15(3)26/h5-7H,4,8-13H2,1-3H3,(H,22,27)(H2,21,23,29)