4-[(6-ethyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)methyl]benzenecarbothioamide

Systemtic Name: 4-[(6-ethyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)methyl]benzenecarbothioamide Openeye Name: 4-[(6-ethyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)methyl]benzenecarbothioamide CAS Name: 4-[(6-ethyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)methyl]benzenecarbothioamide IUPAC Name: 4-[(6-ethyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)methyl]benzenecarbothioamide Traditional Name: 4-[(6-ethyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)methyl]thiobenzamide Formula: C18H17N3O2S MolecularWeight: 339.41148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC3=C(C=C2N1CC4=CC=C(C=C4)C(=S)N)OCO3

Isomeric SMILES

CCC1=NC2=CC3=C(C=C2N1CC4=CC=C(C=C4)C(=S)N)OCO3

InChI

InChI=1S/C18H17N3O2S/c1-2-17-20-13-7-15-16(23-10-22-15)8-14(13)21(17)9-11-3-5-12(6-4-11)18(19)24/h3-8H,2,9-10H2,1H3,(H2,19,24)