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

Systemtic Name: N-[3-chloranyl-4-(2-methylpropoxy)phenyl]-3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(3-chloro-4-isobutoxy-phenyl)-3-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(3-chloro-4-isobutoxy-phenyl)-4-keto-3-methyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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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)N(C(=S)N3)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O3S/c1-11(2)10-27-17-7-5-13(9-15(17)21)22-18(25)12-4-6-14-16(8-12)23-20(28)24(3)19(14)26/h4-9,11H,10H2,1-3H3,(H,22,25)(H,23,28)