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

Systemtic Name: N-cyclohexyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-cyclohexyl-4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-cyclohexyl-4-oxo-3-(2-oxolanylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-cyclohexyl-4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-cyclohexyl-4-keto-3-(tetrahydrofurfuryl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4CCCO4

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4CCCO4

InChI

InChI=1S/C20H25N3O3S/c24-18(21-14-5-2-1-3-6-14)13-8-9-16-17(11-13)22-20(27)23(19(16)25)12-15-7-4-10-26-15/h8-9,11,14-15H,1-7,10,12H2,(H,21,24)(H,22,27)