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

Systemtic Name: N-[3-chloranyl-4-(2-methylpropoxy)phenyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(3-chloro-4-isobutoxy-phenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[3-chloro-4-(2-methylpropoxy)phenyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[3-chloro-4-(2-methylpropoxy)phenyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(3-chloro-4-isobutoxy-phenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C19H18ClN3O3S MolecularWeight: 403.88252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3)Cl

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3)Cl

InChI

InChI=1S/C19H18ClN3O3S/c1-10(2)9-26-16-6-4-12(8-14(16)20)21-17(24)11-3-5-13-15(7-11)22-19(27)23-18(13)25/h3-8,10H,9H2,1-2H3,(H,21,24)(H2,22,23,25,27)