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

Systemtic Name: N-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-3-bromanyl-4-methoxy-benzamide Openeye Name: N-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]-3-bromo-4-methoxy-benzamide CAS Name: N-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]-3-bromo-4-methoxybenzamide IUPAC Name: N-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-3-bromo-4-methoxybenzamide Traditional Name: N-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]-3-bromo-4-methoxy-benzamide Formula: C21H15BrN2O3S MolecularWeight: 455.3244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC(=C3NC4=CC=CC=C4S3)C(=O)C=C2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C/C(=C/3\NC4=CC=CC=C4S3)/C(=O)C=C2)Br

InChI

InChI=1S/C21H15BrN2O3S/c1-27-18-9-6-12(10-15(18)22)20(26)23-13-7-8-17(25)14(11-13)21-24-16-4-2-3-5-19(16)28-21/h2-11,24H,1H3,(H,23,26)/b21-14-