N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-2-chloranyl-4-methyl-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC2=CC(=C3NC4=CC=CC=C4S3)C(=O)C(=C2)C)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC2=C/C(=C\3/NC4=CC=CC=C4S3)/C(=O)C(=C2)C)Cl

InChI

InChI=1S/C22H17ClN2O2S/c1-12-7-8-15(17(23)9-12)21(27)24-14-10-13(2)20(26)16(11-14)22-25-18-5-3-4-6-19(18)28-22/h3-11,25H,1-2H3,(H,24,27)/b22-16+