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

Systemtic Name: N-[(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C16H10ClN5O5S2 MolecularWeight: 451.8641

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10ClN5O5S2/c1-7-2-13-12(6-11(7)17)18-16(29-13)20-15(28)19-14(23)8-3-9(21(24)25)5-10(4-8)22(26)27/h2-6H,1H3,(H2,18,19,20,23,28)