1-cyclohexyl-3-[4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)butanoylamino]thiourea

Systemtic Name: 1-cyclohexyl-3-[4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)butanoylamino]thiourea Openeye Name: 1-cyclohexyl-3-[4-(2-methyl-4-oxo-quinazolin-3-yl)butanoylamino]thiourea CAS Name: 1-cyclohexyl-3-[[4-(2-methyl-4-oxo-3-quinazolinyl)-1-oxobutyl]amino]thiourea IUPAC Name: 1-cyclohexyl-3-[4-(2-methyl-4-oxoquinazolin-3-yl)butanoylamino]thiourea Traditional Name: 1-cyclohexyl-3-[4-(4-keto-2-methyl-quinazolin-3-yl)butanoylamino]thiourea Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1CCCC(=O)NNC(=S)NC3CCCCC3

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1CCCC(=O)NNC(=S)NC3CCCCC3

InChI

InChI=1S/C20H27N5O2S/c1-14-21-17-11-6-5-10-16(17)19(27)25(14)13-7-12-18(26)23-24-20(28)22-15-8-3-2-4-9-15/h5-6,10-11,15H,2-4,7-9,12-13H2,1H3,(H,23,26)(H2,22,24,28)