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

Systemtic Name: N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-oxidanylidene-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-oxo-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-keto-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2CC2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C(C2CC2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CCC5=CC=CC=C5

InChI

InChI=1S/C28H27N3O3S/c1-34-22-12-9-20(10-13-22)25(19-7-8-19)30-26(32)21-11-14-23-24(17-21)29-28(35)31(27(23)33)16-15-18-5-3-2-4-6-18/h2-6,9-14,17,19,25H,7-8,15-16H2,1H3,(H,29,35)(H,30,32)