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

Systemtic Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-2,5-bis(chloranyl)benzamide Openeye Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-2,5-dichloro-benzamide CAS Name: N-[[(6-acetamido-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2,5-dichlorobenzamide IUPAC Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-2,5-dichlorobenzamide Traditional Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)thiocarbamoyl]-2,5-dichloro-benzamide Formula: C17H12Cl2N4O2S2 MolecularWeight: 439.33878

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C17H12Cl2N4O2S2/c1-8(24)20-10-3-5-13-14(7-10)27-17(21-13)23-16(26)22-15(25)11-6-9(18)2-4-12(11)19/h2-7H,1H3,(H,20,24)(H2,21,22,23,25,26)