N-[3-chloranyl-4-(2-methylpropoxy)phenyl]-3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[3-chloranyl-4-(2-methylpropoxy)phenyl]-3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(3-chloro-4-isobutoxy-phenyl)-3-ethyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(3-chloro-4-isobutoxy-phenyl)-3-ethyl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)OCC(C)C)Cl)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)OCC(C)C)Cl)NC1=S

InChI

InChI=1S/C21H22ClN3O3S/c1-4-25-20(27)15-7-5-13(9-17(15)24-21(25)29)19(26)23-14-6-8-18(16(22)10-14)28-11-12(2)3/h5-10,12H,4,11H2,1-3H3,(H,23,26)(H,24,29)