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

Systemtic Name: 3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-N-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(4-methoxyphenyl)methyl]-4-oxo-N-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(4-methoxyphenyl)methyl]-4-oxo-N-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(4-methoxyphenyl)methyl]-4-oxo-N-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-p-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=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CC=CC=C4)NC2=S

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CC=CC=C4)NC2=S

InChI

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