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

Systemtic Name: N-[(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-ethoxy-benzamide Openeye Name: N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-ethoxy-benzamide CAS Name: N-[[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-ethoxybenzamide IUPAC Name: N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-ethoxybenzamide Traditional Name: N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-ethoxy-benzamide Formula: C18H16ClN3O2S2 MolecularWeight: 405.92154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C(=C3)Cl)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C(=C3)Cl)C

InChI

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