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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H23N3O2S2/c1-2-15-30-20-13-11-18(12-14-20)23(29)28-25(31)26-16-17-7-9-19(10-8-17)24-27-21-5-3-4-6-22(21)32-24/h3-14H,2,15-16H2,1H3,(H2,26,28,29,31)