N-cyclohexyl-3-(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide

Systemtic Name: N-cyclohexyl-3-(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: N-cyclohexyl-3-(6,7-diethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: N-cyclohexyl-3-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: N-cyclohexyl-3-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: N-cyclohexyl-3-(6,7-diethoxy-4-keto-2-thioxo-1H-quinazolin-3-yl)propionamide Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)NC3CCCCC3)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)NC3CCCCC3)OCC

InChI

InChI=1S/C21H29N3O4S/c1-3-27-17-12-15-16(13-18(17)28-4-2)23-21(29)24(20(15)26)11-10-19(25)22-14-8-6-5-7-9-14/h12-14H,3-11H2,1-2H3,(H,22,25)(H,23,29)