1-[[4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoyl]amino]-3-(3-methylbutyl)thiourea

Systemtic Name: 1-[[4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoyl]amino]-3-(3-methylbutyl)thiourea Openeye Name: 1-[[4-(2,5-dimethylphenyl)-4-oxo-butanoyl]amino]-3-isopentyl-thiourea CAS Name: 1-[[4-(2,5-dimethylphenyl)-1,4-dioxobutyl]amino]-3-(3-methylbutyl)thiourea IUPAC Name: 1-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-3-(3-methylbutyl)thiourea Traditional Name: 1-[[4-(2,5-dimethylphenyl)-4-keto-butanoyl]amino]-3-isoamyl-thiourea Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)NNC(=S)NCCC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)NNC(=S)NCCC(C)C

InChI

InChI=1S/C18H27N3O2S/c1-12(2)9-10-19-18(24)21-20-17(23)8-7-16(22)15-11-13(3)5-6-14(15)4/h5-6,11-12H,7-10H2,1-4H3,(H,20,23)(H2,19,21,24)