N-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloranyl-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]-3-phenyl-propanamide

Systemtic Name: N-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloranyl-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]-3-phenyl-propanamide Openeye Name: N-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloro-6-oxo-cyclohexa-1,4-dien-1-yl]-3-phenyl-propanamide CAS Name: N-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloro-6-oxo-1-cyclohexa-1,4-dienyl]-3-phenylpropanamide IUPAC Name: N-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloro-6-oxocyclohexa-1,4-dien-1-yl]-3-phenylpropanamide Traditional Name: N-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloro-6-keto-cyclohexa-1,4-dien-1-yl]-3-phenyl-propionamide Formula: C22H17ClN2O2S MolecularWeight: 408.90058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=CC(=C3NC4=CC=CC=C4S3)C=C(C2=O)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=C/C(=C/3\NC4=CC=CC=C4S3)/C=C(C2=O)Cl

InChI

InChI=1S/C22H17ClN2O2S/c23-16-12-15(22-25-17-8-4-5-9-19(17)28-22)13-18(21(16)27)24-20(26)11-10-14-6-2-1-3-7-14/h1-9,12-13,25H,10-11H2,(H,24,26)/b22-15+