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

Systemtic Name: 1-[4-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)butanoylamino]-3-(3-methoxyphenyl)thiourea Openeye Name: 1-[4-(6,7-dimethoxy-4-oxo-quinazolin-3-yl)butanoylamino]-3-(3-methoxyphenyl)thiourea CAS Name: 1-[[4-(6,7-dimethoxy-4-oxo-3-quinazolinyl)-1-oxobutyl]amino]-3-(3-methoxyphenyl)thiourea IUPAC Name: 1-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoylamino]-3-(3-methoxyphenyl)thiourea Traditional Name: 1-[4-(4-keto-6,7-dimethoxy-quinazolin-3-yl)butanoylamino]-3-(3-methoxyphenyl)thiourea Formula: C22H25N5O5S MolecularWeight: 471.5294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NNC(=O)CCCN2C=NC3=CC(=C(C=C3C2=O)OC)OC

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NNC(=O)CCCN2C=NC3=CC(=C(C=C3C2=O)OC)OC

InChI

InChI=1S/C22H25N5O5S/c1-30-15-7-4-6-14(10-15)24-22(33)26-25-20(28)8-5-9-27-13-23-17-12-19(32-3)18(31-2)11-16(17)21(27)29/h4,6-7,10-13H,5,8-9H2,1-3H3,(H,25,28)(H2,24,26,33)