N-(1,3-benzothiazol-2-ylcarbamothioyl)-2,4-dimethyl-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-ylcarbamothioyl)-2,4-dimethyl-benzamide Openeye Name: N-(1,3-benzothiazol-2-ylcarbamothioyl)-2,4-dimethyl-benzamide CAS Name: N-[(1,3-benzothiazol-2-ylamino)-sulfanylidenemethyl]-2,4-dimethylbenzamide IUPAC Name: N-(1,3-benzothiazol-2-ylcarbamothioyl)-2,4-dimethylbenzamide Traditional Name: N-(1,3-benzothiazol-2-ylthiocarbamoyl)-2,4-dimethyl-benzamide Formula: C17H15N3OS2 MolecularWeight: 341.4505

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C17H15N3OS2/c1-10-7-8-12(11(2)9-10)15(21)19-16(22)20-17-18-13-5-3-4-6-14(13)23-17/h3-9H,1-2H3,(H2,18,19,20,21,22)