N-[1-(3-chlorophenyl)propan-2-yl]-3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[1-(3-chlorophenyl)propan-2-yl]-3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[2-(3-chlorophenyl)-1-methyl-ethyl]-3-ethyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[1-(3-chlorophenyl)propan-2-yl]-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[1-(3-chlorophenyl)propan-2-yl]-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[2-(3-chlorophenyl)-1-methyl-ethyl]-3-ethyl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC(C)CC3=CC(=CC=C3)Cl)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC(C)CC3=CC(=CC=C3)Cl)NC1=S

InChI

InChI=1S/C20H20ClN3O2S/c1-3-24-19(26)16-8-7-14(11-17(16)23-20(24)27)18(25)22-12(2)9-13-5-4-6-15(21)10-13/h4-8,10-12H,3,9H2,1-2H3,(H,22,25)(H,23,27)