1-(3-chloranyl-2-methyl-phenyl)-3-[4-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)butanoylamino]thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[4-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)butanoylamino]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[4-(6,7-dimethoxy-4-oxo-quinazolin-3-yl)butanoylamino]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[[4-(6,7-dimethoxy-4-oxo-3-quinazolinyl)-1-oxobutyl]amino]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoylamino]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[4-(4-keto-6,7-dimethoxy-quinazolin-3-yl)butanoylamino]thiourea Formula: C22H24ClN5O4S MolecularWeight: 489.97506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NNC(=O)CCCN2C=NC3=CC(=C(C=C3C2=O)OC)OC

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NNC(=O)CCCN2C=NC3=CC(=C(C=C3C2=O)OC)OC

InChI

InChI=1S/C22H24ClN5O4S/c1-13-15(23)6-4-7-16(13)25-22(33)27-26-20(29)8-5-9-28-12-24-17-11-19(32-3)18(31-2)10-14(17)21(28)30/h4,6-7,10-12H,5,8-9H2,1-3H3,(H,26,29)(H2,25,27,33)