1-(2-ethyl-6-methyl-phenyl)-3-[3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanoylamino]thiourea

Systemtic Name: 1-(2-ethyl-6-methyl-phenyl)-3-[3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanoylamino]thiourea Openeye Name: 1-(2-ethyl-6-methyl-phenyl)-3-[3-(3-methyl-4-oxo-quinazolin-2-yl)propanoylamino]thiourea CAS Name: 1-(2-ethyl-6-methylphenyl)-3-[[3-(3-methyl-4-oxo-2-quinazolinyl)-1-oxopropyl]amino]thiourea IUPAC Name: 1-(2-ethyl-6-methylphenyl)-3-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoylamino]thiourea Traditional Name: 1-(2-ethyl-6-methyl-phenyl)-3-[3-(4-keto-3-methyl-quinazolin-2-yl)propanoylamino]thiourea Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)CCC2=NC3=CC=CC=C3C(=O)N2C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)CCC2=NC3=CC=CC=C3C(=O)N2C)C

InChI

InChI=1S/C22H25N5O2S/c1-4-15-9-7-8-14(2)20(15)24-22(30)26-25-19(28)13-12-18-23-17-11-6-5-10-16(17)21(29)27(18)3/h5-11H,4,12-13H2,1-3H3,(H,25,28)(H2,24,26,30)