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

Systemtic Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3,4-dimethyl-benzamide Openeye Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3,4-dimethyl-benzamide CAS Name: N-[[(6-acetamido-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3,4-dimethylbenzamide IUPAC Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3,4-dimethylbenzamide Traditional Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)thiocarbamoyl]-3,4-dimethyl-benzamide Formula: C19H18N4O2S2 MolecularWeight: 398.50182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O2S2/c1-10-4-5-13(8-11(10)2)17(25)22-18(26)23-19-21-15-7-6-14(20-12(3)24)9-16(15)27-19/h4-9H,1-3H3,(H,20,24)(H2,21,22,23,25,26)