4-chloranyl-N-(1H-indol-2-ylsulfanylmethyl)benzenecarbothioamide

Systemtic Name: 4-chloranyl-N-(1H-indol-2-ylsulfanylmethyl)benzenecarbothioamide Openeye Name: 4-chloro-N-(1H-indol-2-ylsulfanylmethyl)benzenecarbothioamide CAS Name: 4-chloro-N-[(1H-indol-2-ylthio)methyl]benzenecarbothioamide IUPAC Name: 4-chloro-N-(1H-indol-2-ylsulfanylmethyl)benzenecarbothioamide Traditional Name: 4-chloro-N-[(1H-indol-2-ylthio)methyl]thiobenzamide Formula: C16H13ClN2S2 MolecularWeight: 332.87082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N2)SCNC(=S)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N2)SCNC(=S)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H13ClN2S2/c17-13-7-5-11(6-8-13)16(20)18-10-21-15-9-12-3-1-2-4-14(12)19-15/h1-9,19H,10H2,(H,18,20)