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

Systemtic Name: 1-[[4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoyl]amino]-3-(2-ethyl-6-methyl-phenyl)thiourea Openeye Name: 1-[[4-(3,4-dimethylphenyl)-4-oxo-butanoyl]amino]-3-(2-ethyl-6-methyl-phenyl)thiourea CAS Name: 1-[[4-(3,4-dimethylphenyl)-1,4-dioxobutyl]amino]-3-(2-ethyl-6-methylphenyl)thiourea IUPAC Name: 1-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-3-(2-ethyl-6-methylphenyl)thiourea Traditional Name: 1-[[4-(3,4-dimethylphenyl)-4-keto-butanoyl]amino]-3-(2-ethyl-6-methyl-phenyl)thiourea Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)CCC(=O)C2=CC(=C(C=C2)C)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)CCC(=O)C2=CC(=C(C=C2)C)C)C

InChI

InChI=1S/C22H27N3O2S/c1-5-17-8-6-7-15(3)21(17)23-22(28)25-24-20(27)12-11-19(26)18-10-9-14(2)16(4)13-18/h6-10,13H,5,11-12H2,1-4H3,(H,24,27)(H2,23,25,28)