N-[[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]carbamothioyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]carbamothioyl]-3,4-dimethyl-benzamide Openeye Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-3,4-dimethyl-benzamide CAS Name: N-[[(4,5-dichloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3,4-dimethylbenzamide IUPAC Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-3,4-dimethylbenzamide Traditional Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)thiocarbamoyl]-3,4-dimethyl-benzamide Formula: C17H13Cl2N3OS2 MolecularWeight: 410.34062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=CC(=C3Cl)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=CC(=C3Cl)Cl)C

InChI

InChI=1S/C17H13Cl2N3OS2/c1-8-3-4-10(7-9(8)2)15(23)21-16(24)22-17-20-14-12(25-17)6-5-11(18)13(14)19/h3-7H,1-2H3,(H2,20,21,22,23,24)