N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[[5-(4-chlorophenyl)-2-furyl]methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[[5-(4-chlorophenyl)-2-furanyl]methyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-[[5-(4-chlorophenyl)-2-furyl]methyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H18ClN3O3S MolecularWeight: 451.92532

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(O3)C4=CC=C(C=C4)Cl)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(O3)C4=CC=C(C=C4)Cl)NC1=S

InChI

InChI=1S/C23H18ClN3O3S/c1-2-11-27-22(29)18-9-5-15(12-19(18)26-23(27)31)21(28)25-13-17-8-10-20(30-17)14-3-6-16(24)7-4-14/h2-10,12H,1,11,13H2,(H,25,28)(H,26,31)