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

Systemtic Name: 1-[4-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)butanoylamino]-3-(3,4-dimethylphenyl)thiourea Openeye Name: 1-[4-(6,7-dimethoxy-4-oxo-quinazolin-3-yl)butanoylamino]-3-(3,4-dimethylphenyl)thiourea CAS Name: 1-[[4-(6,7-dimethoxy-4-oxo-3-quinazolinyl)-1-oxobutyl]amino]-3-(3,4-dimethylphenyl)thiourea IUPAC Name: 1-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoylamino]-3-(3,4-dimethylphenyl)thiourea Traditional Name: 1-(3,4-dimethylphenyl)-3-[4-(4-keto-6,7-dimethoxy-quinazolin-3-yl)butanoylamino]thiourea Formula: C23H27N5O4S MolecularWeight: 469.55658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC(=O)CCCN2C=NC3=CC(=C(C=C3C2=O)OC)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=O)CCCN2C=NC3=CC(=C(C=C3C2=O)OC)OC)C

InChI

InChI=1S/C23H27N5O4S/c1-14-7-8-16(10-15(14)2)25-23(33)27-26-21(29)6-5-9-28-13-24-18-12-20(32-4)19(31-3)11-17(18)22(28)30/h7-8,10-13H,5-6,9H2,1-4H3,(H,26,29)(H2,25,27,33)