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

Systemtic Name: N-[3-chloranyl-4-(2-methylpropoxy)phenyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-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-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[3-chloro-4-(2-methylpropoxy)phenyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-(3-chloro-4-isobutoxy-phenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H22ClN3O3S MolecularWeight: 443.94638

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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)CC=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)CC=C)Cl

InChI

InChI=1S/C22H22ClN3O3S/c1-4-9-26-21(28)16-7-5-14(10-18(16)25-22(26)30)20(27)24-15-6-8-19(17(23)11-15)29-12-13(2)3/h4-8,10-11,13H,1,9,12H2,2-3H3,(H,24,27)(H,25,30)