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

Systemtic Name: 3-chloranyl-N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-chloro-N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-chloro-N-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-chloro-N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-chloro-N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-ethoxy-benzamide Formula: C19H18ClN3O2S2 MolecularWeight: 419.94812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=C(C=C(C=C3S2)C)C)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=C(C=C(C=C3S2)C)C)Cl

InChI

InChI=1S/C19H18ClN3O2S2/c1-4-25-14-6-5-12(9-13(14)20)17(24)22-18(26)23-19-21-16-11(3)7-10(2)8-15(16)27-19/h5-9H,4H2,1-3H3,(H2,21,22,23,24,26)