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

Systemtic Name: N-[[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-5-bromanyl-2-methoxy-benzamide Openeye Name: N-[[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-5-bromo-2-methoxy-benzamide CAS Name: N-[[[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-5-bromo-2-methoxybenzamide IUPAC Name: N-[[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-5-bromo-2-methoxybenzamide Traditional Name: N-[[3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-5-bromo-2-methoxy-benzamide Formula: C22H16BrN3O3S2 MolecularWeight: 514.41474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16BrN3O3S2/c1-29-18-9-6-12(23)10-15(18)20(28)26-22(30)24-13-7-8-17(27)14(11-13)21-25-16-4-2-3-5-19(16)31-21/h2-11,25H,1H3,(H2,24,26,28,30)