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

Systemtic Name: 3-(furan-2-ylmethyl)-N-(2-methylcyclohexyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(2-furylmethyl)-N-(2-methylcyclohexyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(2-furanylmethyl)-N-(2-methylcyclohexyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(furan-2-ylmethyl)-N-(2-methylcyclohexyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(2-furfuryl)-4-keto-N-(2-methylcyclohexyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CO4

Isomeric SMILES

CC1CCCCC1NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CO4

InChI

InChI=1S/C21H23N3O3S/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/h4,6,8-11,13,17H,2-3,5,7,12H2,1H3,(H,22,25)(H,23,28)