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

Systemtic Name: N-(2-methylcyclohexyl)-4-oxidanylidene-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(2-methylcyclohexyl)-4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(2-methylcyclohexyl)-4-oxo-3-(2-oxolanylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(2-methylcyclohexyl)-4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-(2-methylcyclohexyl)-3-(tetrahydrofurfuryl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4CCCO4

Isomeric SMILES

CC1CCCCC1NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4CCCO4

InChI

InChI=1S/C21H27N3O3S/c1-13-5-2-3-7-17(13)22-19(25)14-8-9-16-18(11-14)23-21(28)24(20(16)26)12-15-6-4-10-27-15/h8-9,11,13,15,17H,2-7,10,12H2,1H3,(H,22,25)(H,23,28)