N-(4-methoxyphenyl)-4-oxidanylidene-3-phenethyl-2-sulfanylidene-4aH-quinazoline-7-carboxamide

Systemtic Name: N-(4-methoxyphenyl)-4-oxidanylidene-3-phenethyl-2-sulfanylidene-4aH-quinazoline-7-carboxamide Openeye Name: N-(4-methoxyphenyl)-4-oxo-3-phenethyl-2-thioxo-4aH-quinazoline-7-carboxamide CAS Name: N-(4-methoxyphenyl)-4-oxo-3-phenethyl-2-sulfanylidene-4aH-quinazoline-7-carboxamide IUPAC Name: N-(4-methoxyphenyl)-4-oxo-3-phenethyl-2-sulfanylidene-4aH-quinazoline-7-carboxamide Traditional Name: 4-keto-N-(4-methoxyphenyl)-3-phenethyl-2-thioxo-4aH-quinazoline-7-carboxamide Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC3=NC(=S)N(C(=O)C3C=C2)CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC3=NC(=S)N(C(=O)C3C=C2)CCC4=CC=CC=C4

InChI

InChI=1S/C24H21N3O3S/c1-30-19-10-8-18(9-11-19)25-22(28)17-7-12-20-21(15-17)26-24(31)27(23(20)29)14-13-16-5-3-2-4-6-16/h2-12,15,20H,13-14H2,1H3,(H,25,28)