3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-N-(thiophen-2-ylmethyl)quinazoline-7-carboxamide

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-N-(thiophen-2-ylmethyl)quinazoline-7-carboxamide Openeye Name: 3-(3-chloro-4-methoxy-phenyl)-4-oxo-N-(2-thienylmethyl)quinazoline-7-carboxamide CAS Name: 3-(3-chloro-4-methoxyphenyl)-4-oxo-N-(thiophen-2-ylmethyl)-7-quinazolinecarboxamide IUPAC Name: 3-(3-chloro-4-methoxyphenyl)-4-oxo-N-(thiophen-2-ylmethyl)quinazoline-7-carboxamide Traditional Name: 3-(3-chloro-4-methoxy-phenyl)-4-keto-N-(2-thenyl)quinazoline-7-carboxamide Formula: C21H16ClN3O3S MolecularWeight: 425.88804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C=NC3=C(C2=O)C=CC(=C3)C(=O)NCC4=CC=CS4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C=NC3=C(C2=O)C=CC(=C3)C(=O)NCC4=CC=CS4)Cl

InChI

InChI=1S/C21H16ClN3O3S/c1-28-19-7-5-14(10-17(19)22)25-12-24-18-9-13(4-6-16(18)21(25)27)20(26)23-11-15-3-2-8-29-15/h2-10,12H,11H2,1H3,(H,23,26)