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

Systemtic Name: N-[(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C17H13ClN4O4S2 MolecularWeight: 436.89252

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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)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN4O4S2/c1-8-5-14-11(7-10(8)18)19-17(28-14)21-16(27)20-15(23)9-3-4-13(26-2)12(6-9)22(24)25/h3-7H,1-2H3,(H2,19,20,21,23,27)