4-chloranyl-N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]butanamide

Systemtic Name: 4-chloranyl-N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]butanamide Openeye Name: 4-chloro-N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]butanamide CAS Name: 4-chloro-N-[[4-[(6,7-dimethoxy-4-quinazolinyl)oxy]anilino]-sulfanylidenemethyl]butanamide IUPAC Name: 4-chloro-N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]butanamide Traditional Name: 4-chloro-N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]thiocarbamoyl]butyramide Formula: C21H21ClN4O4S MolecularWeight: 460.93384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)OC3=CC=C(C=C3)NC(=S)NC(=O)CCCCl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)OC3=CC=C(C=C3)NC(=S)NC(=O)CCCCl)OC

InChI

InChI=1S/C21H21ClN4O4S/c1-28-17-10-15-16(11-18(17)29-2)23-12-24-20(15)30-14-7-5-13(6-8-14)25-21(31)26-19(27)4-3-9-22/h5-8,10-12H,3-4,9H2,1-2H3,(H2,25,26,27,31)