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

Systemtic Name: N-[(6-chloranyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[(6-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-3-methyl-4-nitro-benzamide CAS Name: N-[[(6-chloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[(6-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[(6-chloro-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-methyl-4-nitro-benzamide Formula: C16H11ClN4O3S2 MolecularWeight: 406.86654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)Cl)[N+](=O)[O-]

InChI

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