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

Systemtic Name: N-[[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-5-bromanyl-2-chloranyl-benzamide Openeye Name: N-[[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-5-bromo-2-chloro-benzamide CAS Name: N-[[[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-5-bromo-2-chlorobenzamide IUPAC Name: N-[[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-5-bromo-2-chlorobenzamide Traditional Name: N-[[3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-5-bromo-2-chloro-benzamide Formula: C21H13BrClN3O2S2 MolecularWeight: 518.83382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C4=C(C=CC(=C4)Br)Cl)S2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C4=C(C=CC(=C4)Br)Cl)S2

InChI

InChI=1S/C21H13BrClN3O2S2/c22-11-5-7-15(23)13(9-11)19(28)26-21(29)24-12-6-8-17(27)14(10-12)20-25-16-3-1-2-4-18(16)30-20/h1-10,25H,(H2,24,26,28,29)