4-chloranyl-N-[(E)-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)carbamothioyl]benzamide

Systemtic Name: 4-chloranyl-N-[(E)-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)carbamothioyl]benzamide Openeye Name: 4-chloro-N-[(E)-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)carbamothioyl]benzamide CAS Name: 4-chloro-N-[[(E)-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-chloro-N-[(E)-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)carbamothioyl]benzamide Traditional Name: 4-chloro-N-[(E)-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)thiocarbamoyl]benzamide Formula: C17H14ClN3OS2 MolecularWeight: 375.89556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=S)NC(=O)C3=CC=C(C=C3)Cl)S2)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(/C(=N\C(=S)NC(=O)C3=CC=C(C=C3)Cl)/S2)C

InChI

InChI=1S/C17H14ClN3OS2/c1-10-3-8-13-14(9-10)24-17(21(13)2)20-16(23)19-15(22)11-4-6-12(18)7-5-11/h3-9H,1-2H3,(H,19,22,23)/b20-17+