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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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