N-(4-methylcyclohexyl)-4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzamide

Systemtic Name: N-(4-methylcyclohexyl)-4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzamide Openeye Name: N-(4-methylcyclohexyl)-4-[(4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]benzamide CAS Name: N-(4-methylcyclohexyl)-4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzamide IUPAC Name: N-(4-methylcyclohexyl)-4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzamide Traditional Name: 4-[(4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]-N-(4-methylcyclohexyl)benzamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)C2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

CC1CCC(CC1)NC(=O)C2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C23H25N3O2S/c1-15-6-12-18(13-7-15)24-21(27)17-10-8-16(9-11-17)14-26-22(28)19-4-2-3-5-20(19)25-23(26)29/h2-5,8-11,15,18H,6-7,12-14H2,1H3,(H,24,27)(H,25,29)