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

Systemtic Name: 3-[(2-methoxyphenyl)methyl]-4-oxidanylidene-N-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(2-methoxyphenyl)methyl]-4-oxo-N-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(2-methoxyphenyl)methyl]-4-oxo-N-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(2-methoxyphenyl)methyl]-4-oxo-N-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-o-anisyl-N-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CC=CC=C4)NC2=S

Isomeric SMILES

COC1=CC=CC=C1CN2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CC=CC=C4)NC2=S

InChI

InChI=1S/C25H23N3O3S/c1-31-22-10-6-5-9-19(22)16-28-24(30)20-12-11-18(15-21(20)27-25(28)32)23(29)26-14-13-17-7-3-2-4-8-17/h2-12,15H,13-14,16H2,1H3,(H,26,29)(H,27,32)