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

Systemtic Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-5-bromanyl-2-methoxy-3-methyl-benzamide Openeye Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxo-cyclohexa-1,5-dien-1-yl]-5-bromo-2-methoxy-3-methyl-benzamide CAS Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxo-1-cyclohexa-1,5-dienyl]-5-bromo-2-methoxy-3-methylbenzamide IUPAC Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxocyclohexa-1,5-dien-1-yl]-5-bromo-2-methoxy-3-methylbenzamide Traditional Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-5-methyl-cyclohexa-1,5-dien-1-yl]-5-bromo-2-methoxy-3-methyl-benzamide Formula: C23H19BrN2O3S MolecularWeight: 483.37756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C2NC3=CC=CC=C3S2)C1=O)NC(=O)C4=CC(=CC(=C4OC)C)Br

Isomeric SMILES

CC1=CC(=C/C(=C\2/NC3=CC=CC=C3S2)/C1=O)NC(=O)C4=CC(=CC(=C4OC)C)Br

InChI

InChI=1S/C23H19BrN2O3S/c1-12-9-15(25-22(28)17-10-14(24)8-13(2)21(17)29-3)11-16(20(12)27)23-26-18-6-4-5-7-19(18)30-23/h4-11,26H,1-3H3,(H,25,28)/b23-16+