[2-[(2-methylidene-3-phenyl-1,3-dihydro-1,5-benzodiazepin-4-yl)amino]-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate

Systemtic Name: [2-[(2-methylidene-3-phenyl-1,3-dihydro-1,5-benzodiazepin-4-yl)amino]-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: [2-[(2-methylene-3-phenyl-1,3-dihydro-1,5-benzodiazepin-4-yl)amino]-2-oxo-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate CAS Name: 4-methyl-1-piperazin-4-iumcarbodithioic acid [2-[(2-methylene-3-phenyl-1,3-dihydro-1,5-benzodiazepin-4-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylidene-3-phenyl-1,3-dihydro-1,5-benzodiazepin-4-yl)amino]-2-oxoethyl] 4-methylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-methylpiperazin-4-ium-1-carbodithioic acid [2-keto-2-[(2-methylene-3-phenyl-1,3-dihydro-1,5-benzodiazepin-4-yl)amino]ethyl] ester Formula: C24H28N5OS2+ MolecularWeight: 466.64202

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)SCC(=O)NC2=NC3=CC=CC=C3NC(=C)C2C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)SCC(=O)NC2=NC3=CC=CC=C3NC(=C)C2C4=CC=CC=C4

InChI

InChI=1S/C24H27N5OS2/c1-17-22(18-8-4-3-5-9-18)23(26-20-11-7-6-10-19(20)25-17)27-21(30)16-32-24(31)29-14-12-28(2)13-15-29/h3-11,22,25H,1,12-16H2,2H3,(H,26,27,30)/p+1