[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 4-(phenylmethyl)piperazine-1-carbodithioate

Systemtic Name: [2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 4-(phenylmethyl)piperazine-1-carbodithioate Openeye Name: [2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 4-benzylpiperazine-1-carbodithioate CAS Name: 4-(phenylmethyl)-1-piperazinecarbodithioic acid [2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 4-benzylpiperazine-1-carbodithioate Traditional Name: 4-benzylpiperazine-1-carbodithioic acid [2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]ethyl] ester Formula: C25H29N5O2S2 MolecularWeight: 495.66006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC(=S)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC(=S)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N5O2S2/c1-19-23(24(32)30(27(19)2)21-11-7-4-8-12-21)26-22(31)18-34-25(33)29-15-13-28(14-16-29)17-20-9-5-3-6-10-20/h3-12H,13-18H2,1-2H3,(H,26,31)