3-([1,3]dioxolo[4,5-f]benzimidazol-7-ylmethyl)benzenecarbothioamide

Systemtic Name: 3-([1,3]dioxolo[4,5-f]benzimidazol-7-ylmethyl)benzenecarbothioamide Openeye Name: 3-([1,3]dioxolo[4,5-f]benzimidazol-7-ylmethyl)benzenecarbothioamide CAS Name: 3-([1,3]dioxolo[4,5-f]benzimidazol-7-ylmethyl)benzenecarbothioamide IUPAC Name: 3-([1,3]dioxolo[4,5-f]benzimidazol-7-ylmethyl)benzenecarbothioamide Traditional Name: 3-([1,3]dioxolo[4,5-f]benzimidazol-7-ylmethyl)thiobenzamide Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C3C(=C2)N=CN3CC4=CC=CC(=C4)C(=S)N

Isomeric SMILES

C1OC2=C(O1)C=C3C(=C2)N=CN3CC4=CC=CC(=C4)C(=S)N

InChI

InChI=1S/C16H13N3O2S/c17-16(22)11-3-1-2-10(4-11)7-19-8-18-12-5-14-15(6-13(12)19)21-9-20-14/h1-6,8H,7,9H2,(H2,17,22)