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

Systemtic Name: N-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[(4-chloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[(4-chloro-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C16H11ClN4O3S2 MolecularWeight: 406.86654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=NC3=C(S2)C=CC=C3Cl

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=NC3=C(S2)C=CC=C3Cl

InChI

InChI=1S/C16H11ClN4O3S2/c1-8-9(4-2-6-11(8)21(23)24)14(22)19-15(25)20-16-18-13-10(17)5-3-7-12(13)26-16/h2-7H,1H3,(H2,18,19,20,22,25)