N-(2,3-dimethylcyclohexyl)-3-(3-ethoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(2,3-dimethylcyclohexyl)-3-(3-ethoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(2,3-dimethylcyclohexyl)-3-(3-ethoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(2,3-dimethylcyclohexyl)-3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(2,3-dimethylcyclohexyl)-3-(3-ethoxypropyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCC(C3C)C)NC1=S

Isomeric SMILES

CCOCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCC(C3C)C)NC1=S

InChI

InChI=1S/C22H31N3O3S/c1-4-28-12-6-11-25-21(27)17-10-9-16(13-19(17)24-22(25)29)20(26)23-18-8-5-7-14(2)15(18)3/h9-10,13-15,18H,4-8,11-12H2,1-3H3,(H,23,26)(H,24,29)