N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-butoxy-benzamide

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-butoxy-benzamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-butoxy-benzamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-3-butoxybenzamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-butoxybenzamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]-3-butoxy-benzamide Formula: C25H23N3O2S2 MolecularWeight: 461.59902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H23N3O2S2/c1-2-3-15-30-18-10-8-9-17(16-18)23(29)28-25(31)27-20-12-5-4-11-19(20)24-26-21-13-6-7-14-22(21)32-24/h4-14,16H,2-3,15H2,1H3,(H2,27,28,29,31)