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

Systemtic Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3-methyl-benzamide Openeye Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3-methyl-benzamide CAS Name: N-[[(6-acetamido-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3-methylbenzamide Traditional Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-methyl-benzamide Formula: C18H16N4O2S2 MolecularWeight: 384.47524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)NC(=O)C

InChI

InChI=1S/C18H16N4O2S2/c1-10-4-3-5-12(8-10)16(24)21-17(25)22-18-20-14-7-6-13(19-11(2)23)9-15(14)26-18/h3-9H,1-2H3,(H,19,23)(H2,20,21,22,24,25)