3-chloranyl-N-[(4,7-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-methoxy-benzamide

Systemtic Name: 3-chloranyl-N-[(4,7-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-chloro-N-[(4,7-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-methoxy-benzamide CAS Name: 3-chloro-N-[[(4,7-dimethyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-chloro-N-[(4,7-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-methoxybenzamide Traditional Name: 3-chloro-N-[(4,7-dimethyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-methoxy-benzamide Formula: C18H16ClN3O2S2 MolecularWeight: 405.92154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C18H16ClN3O2S2/c1-9-4-5-10(2)15-14(9)20-18(26-15)22-17(25)21-16(23)11-6-7-13(24-3)12(19)8-11/h4-8H,1-3H3,(H2,20,21,22,23,25)