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

Systemtic Name: 4-chloranyl-N-[(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-nitro-benzamide Formula: C16H10Cl2N4O3S2 MolecularWeight: 441.3116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10Cl2N4O3S2/c1-7-4-13-11(6-10(7)18)19-16(27-13)21-15(26)20-14(23)8-2-3-9(17)12(5-8)22(24)25/h2-6H,1H3,(H2,19,20,21,23,26)