potassium N-[[3-(4-methylphenyl)-4-(phenylmethyl)sulfonyl-butanoyl]amino]carbamodithioate

Systemtic Name: potassium N-[[3-(4-methylphenyl)-4-(phenylmethyl)sulfonyl-butanoyl]amino]carbamodithioate Openeye Name: potassium N-[[4-benzylsulfonyl-3-(p-tolyl)butanoyl]amino]carbamodithioate CAS Name: potassium N-[[3-(4-methylphenyl)-1-oxo-4-(phenylmethyl)sulfonylbutyl]amino]carbamodithioate IUPAC Name: potassium N-[[4-benzylsulfonyl-3-(4-methylphenyl)butanoyl]amino]carbamodithioate Traditional Name: potassium N-[[4-benzylsulfonyl-3-(p-tolyl)butanoyl]amino]carbamodithioate Formula: C19H21KN2O3S3 MolecularWeight: 460.67494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)NNC(=S)[S-])CS(=O)(=O)CC2=CC=CC=C2.[K+]

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)NNC(=S)[S-])CS(=O)(=O)CC2=CC=CC=C2.[K+]

InChI

InChI=1S/C19H22N2O3S3.K/c1-14-7-9-16(10-8-14)17(11-18(22)20-21-19(25)26)13-27(23,24)12-15-5-3-2-4-6-15;/h2-10,17H,11-13H2,1H3,(H,20,22)(H2,21,25,26);/q;+1/p-1