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

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

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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=CCCCC4)NC2=S

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CCCCC4)NC2=S

InChI

InChI=1S/C25H27N3O3S/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/h5,7-12,15H,2-4,6,13-14,16H2,1H3,(H,26,29)(H,27,32)