N-(4-ethoxyphenyl)-4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide

Systemtic Name: N-(4-ethoxyphenyl)-4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide Openeye Name: N-(4-ethoxyphenyl)-4-[(4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]cyclohexanecarboxamide CAS Name: N-(4-ethoxyphenyl)-4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-1-cyclohexanecarboxamide IUPAC Name: N-(4-ethoxyphenyl)-4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide Traditional Name: 4-[(4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]-N-p-phenetyl-cyclohexanecarboxamide Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C24H27N3O3S/c1-2-30-19-13-11-18(12-14-19)25-22(28)17-9-7-16(8-10-17)15-27-23(29)20-5-3-4-6-21(20)26-24(27)31/h3-6,11-14,16-17H,2,7-10,15H2,1H3,(H,25,28)(H,26,31)