[2-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]amino]-2-oxidanylidene-ethyl] N-cyclohexyl-N-methyl-carbamodithioate

Systemtic Name: [2-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]amino]-2-oxidanylidene-ethyl] N-cyclohexyl-N-methyl-carbamodithioate Openeye Name: [2-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]-2-oxo-ethyl] N-cyclohexyl-N-methyl-carbamodithioate CAS Name: N-cyclohexyl-N-methylcarbamodithioic acid [2-[4-[(4-methyl-2-pyrimidinyl)sulfamoyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]-2-oxoethyl] N-cyclohexyl-N-methylcarbamodithioate Traditional Name: N-cyclohexyl-N-methyl-carbamodithioic acid [2-keto-2-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]ethyl] ester Formula: C21H27N5O3S3 MolecularWeight: 493.66578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC(=S)N(C)C3CCCCC3

Isomeric SMILES

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC(=S)N(C)C3CCCCC3

InChI

InChI=1S/C21H27N5O3S3/c1-15-12-13-22-20(23-15)25-32(28,29)18-10-8-16(9-11-18)24-19(27)14-31-21(30)26(2)17-6-4-3-5-7-17/h8-13,17H,3-7,14H2,1-2H3,(H,24,27)(H,22,23,25)