N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(2-chlorobenzyl)-4-keto-3-(4-methoxyphenyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H18ClN3O3S MolecularWeight: 451.92532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4Cl)NC2=S

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4Cl)NC2=S

InChI

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