1-cyclohexyl-3-[4-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)butanoylamino]thiourea

Systemtic Name: 1-cyclohexyl-3-[4-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)butanoylamino]thiourea Openeye Name: 1-cyclohexyl-3-[4-(6,7-dimethoxy-4-oxo-quinazolin-3-yl)butanoylamino]thiourea CAS Name: 1-cyclohexyl-3-[[4-(6,7-dimethoxy-4-oxo-3-quinazolinyl)-1-oxobutyl]amino]thiourea IUPAC Name: 1-cyclohexyl-3-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoylamino]thiourea Traditional Name: 1-cyclohexyl-3-[4-(4-keto-6,7-dimethoxy-quinazolin-3-yl)butanoylamino]thiourea Formula: C21H29N5O4S MolecularWeight: 447.55106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCCC(=O)NNC(=S)NC3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCCC(=O)NNC(=S)NC3CCCCC3)OC

InChI

InChI=1S/C21H29N5O4S/c1-29-17-11-15-16(12-18(17)30-2)22-13-26(20(15)28)10-6-9-19(27)24-25-21(31)23-14-7-4-3-5-8-14/h11-14H,3-10H2,1-2H3,(H,24,27)(H2,23,25,31)