N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-propoxy-benzamide

Systemtic Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-propoxybenzamide Traditional Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]-3-propoxy-benzamide Formula: C25H23N3O2S2 MolecularWeight: 461.59902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C

InChI

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