5-chloranyl-N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: 5-chloranyl-N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-chloro-N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-chloro-N-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-chloro-N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-chloro-N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-1-naphthamide Formula: C21H16ClN3OS2 MolecularWeight: 425.95424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Cl)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Cl)C

InChI

InChI=1S/C21H16ClN3OS2/c1-11-9-12(2)18-17(10-11)28-21(23-18)25-20(27)24-19(26)15-7-3-6-14-13(15)5-4-8-16(14)22/h3-10H,1-2H3,(H2,23,24,25,26,27)