[2-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]amino]-2-oxidanylidene-ethyl] 4-phenylpiperazine-1-carbodithioate

Systemtic Name: [2-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]amino]-2-oxidanylidene-ethyl] 4-phenylpiperazine-1-carbodithioate Openeye Name: [2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-2-oxo-ethyl] 4-phenylpiperazine-1-carbodithioate CAS Name: 4-phenyl-1-piperazinecarbodithioic acid [2-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-2-oxoethyl] 4-phenylpiperazine-1-carbodithioate Traditional Name: 4-phenylpiperazine-1-carbodithioic acid [2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-2-keto-ethyl] ester Formula: C25H28N6O3S3 MolecularWeight: 556.72322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC(=S)N3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC(=S)N3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H28N6O3S3/c1-18-16-19(2)27-24(26-18)29-37(33,34)22-10-8-20(9-11-22)28-23(32)17-36-25(35)31-14-12-30(13-15-31)21-6-4-3-5-7-21/h3-11,16H,12-15,17H2,1-2H3,(H,28,32)(H,26,27,29)