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

Systemtic Name: 3-[2-(cyclohexen-1-yl)ethyl]-N-[(2-methoxyphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[2-(cyclohexen-1-yl)ethyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[2-(cyclohexen-1-yl)ethyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-4-keto-N-o-anisyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CCCCC4

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CCCCC4

InChI

InChI=1S/C25H27N3O3S/c1-31-22-10-6-5-9-19(22)16-26-23(29)18-11-12-20-21(15-18)27-25(32)28(24(20)30)14-13-17-7-3-2-4-8-17/h5-7,9-12,15H,2-4,8,13-14,16H2,1H3,(H,26,29)(H,27,32)