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

Systemtic Name: N-(4-methoxyphenyl)-4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-benzyl-N-(4-methoxyphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(4-methoxyphenyl)-4-oxo-3-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-benzyl-N-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-benzyl-4-keto-N-(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)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4

Isomeric SMILES

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

InChI

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