2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl N-[2-(1H-indol-3-yl)ethyl]carbamodithioate

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl N-[2-(1H-indol-3-yl)ethyl]carbamodithioate Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl N-[2-(1H-indol-3-yl)ethyl]carbamodithioate CAS Name: N-[2-(1H-indol-3-yl)ethyl]carbamodithioic acid 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl ester IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl N-[2-(1H-indol-3-yl)ethyl]carbamodithioate Traditional Name: N-[2-(1H-indol-3-yl)ethyl]carbamodithioic acid 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl ester Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)CCSC(=S)NCCC3=CNC4=CC=CC=C43

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)CCSC(=S)NCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H22N2O2S2/c26-21(22-9-7-16-14-23-18-4-2-1-3-17(16)18)27-12-8-15-5-6-19-20(13-15)25-11-10-24-19/h1-6,13-14,23H,7-12H2,(H,22,26)