N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide

Systemtic Name: N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: N-[5-[(4-chlorophenyl)methyl]thiazol-2-yl]-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: N-[5-[(4-chlorophenyl)methyl]-2-thiazolyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: N-[5-(4-chlorobenzyl)thiazol-2-yl]-3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propionamide Formula: C21H17ClN4O2S2 MolecularWeight: 456.96828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)NC3=NC=C(S3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)NC3=NC=C(S3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H17ClN4O2S2/c22-14-7-5-13(6-8-14)11-15-12-23-20(30-15)25-18(27)9-10-26-19(28)16-3-1-2-4-17(16)24-21(26)29/h1-8,12H,9-11H2,(H,24,29)(H,23,25,27)