2-bromanyl-N-[(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-5-nitro-benzamide

Systemtic Name: 2-bromanyl-N-[(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-5-nitro-benzamide Openeye Name: 2-bromo-N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-5-nitro-benzamide CAS Name: 2-bromo-N-[[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-5-nitrobenzamide IUPAC Name: 2-bromo-N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-5-nitrobenzamide Traditional Name: 2-bromo-N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-5-nitro-benzamide Formula: C16H10BrClN4O3S2 MolecularWeight: 485.7626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1Cl)N=C(S2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC2=C(C=C1Cl)N=C(S2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C16H10BrClN4O3S2/c1-7-4-13-12(6-11(7)18)19-16(27-13)21-15(26)20-14(23)9-5-8(22(24)25)2-3-10(9)17/h2-6H,1H3,(H2,19,20,21,23,26)