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

Systemtic Name: N-[1-(2-chlorophenyl)propan-2-yl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[2-(2-chlorophenyl)-1-methyl-ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[1-(2-chlorophenyl)propan-2-yl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[1-(2-chlorophenyl)propan-2-yl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-[2-(2-chlorophenyl)-1-methyl-ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1Cl)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

Isomeric SMILES

CC(CC1=CC=CC=C1Cl)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

InChI

InChI=1S/C21H20ClN3O2S/c1-3-10-25-20(27)16-9-8-15(12-18(16)24-21(25)28)19(26)23-13(2)11-14-6-4-5-7-17(14)22/h3-9,12-13H,1,10-11H2,2H3,(H,23,26)(H,24,28)