3-(1,3-benzodioxol-5-ylmethyl)-N-(4-methylcyclohexyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-methylcyclohexyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-methylcyclohexyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-methylcyclohexyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-methylcyclohexyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-(4-methylcyclohexyl)-3-piperonyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H25N3O4S/c1-14-2-6-17(7-3-14)25-22(28)16-5-8-18-19(11-16)26-24(32)27(23(18)29)12-15-4-9-20-21(10-15)31-13-30-20/h4-5,8-11,14,17H,2-3,6-7,12-13H2,1H3,(H,25,28)(H,26,32)