[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 4-(phenylmethyl)piperazin-4-ium-1-carbodithioate

Systemtic Name: [2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 4-(phenylmethyl)piperazin-4-ium-1-carbodithioate Openeye Name: [2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] 4-benzylpiperazin-4-ium-1-carbodithioate CAS Name: 4-(phenylmethyl)-1-piperazin-4-iumcarbodithioic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 4-benzylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-benzylpiperazin-4-ium-1-carbodithioic acid [2-keto-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C23H26N3OS2+ MolecularWeight: 424.60204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)CSC(=S)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)CSC(=S)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N3OS2/c1-17-22(19-9-5-6-10-20(19)24-17)21(27)16-29-23(28)26-13-11-25(12-14-26)15-18-7-3-2-4-8-18/h2-10,24H,11-16H2,1H3/p+1