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

Systemtic Name: N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[5-[(4-chlorophenyl)methyl]thiazol-2-yl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[5-[(4-chlorophenyl)methyl]-2-thiazolyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-[5-(4-chlorobenzyl)thiazol-2-yl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H17ClN4O2S2 MolecularWeight: 468.97898

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=NC=C(S3)CC4=CC=C(C=C4)Cl)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=NC=C(S3)CC4=CC=C(C=C4)Cl)NC1=S

InChI

InChI=1S/C22H17ClN4O2S2/c1-2-9-27-20(29)17-8-5-14(11-18(17)25-22(27)30)19(28)26-21-24-12-16(31-21)10-13-3-6-15(23)7-4-13/h2-8,11-12H,1,9-10H2,(H,25,30)(H,24,26,28)