3-(4-methoxyphenyl)-4-oxidanylidene-N-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(4-methoxyphenyl)-4-oxidanylidene-N-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-benzyl-3-(4-methoxyphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(4-methoxyphenyl)-4-oxo-N-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-benzyl-3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-benzyl-4-keto-3-(4-methoxyphenyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H19N3O3S MolecularWeight: 417.48026

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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=C4)NC2=S

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4)NC2=S

InChI

InChI=1S/C23H19N3O3S/c1-29-18-10-8-17(9-11-18)26-22(28)19-12-7-16(13-20(19)25-23(26)30)21(27)24-14-15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,24,27)(H,25,30)