N-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-benzyl-N-(3-chloro-4-methoxy-phenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(3-chloro-4-methoxyphenyl)-4-oxo-3-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-benzyl-N-(3-chloro-4-methoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-benzyl-N-(3-chloro-4-methoxy-phenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H18ClN3O3S MolecularWeight: 451.92532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C23H18ClN3O3S/c1-30-20-10-8-16(12-18(20)24)25-21(28)15-7-9-17-19(11-15)26-23(31)27(22(17)29)13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,25,28)(H,26,31)