potassium N-[[3-(4-chlorophenyl)-4-(phenylsulfonyl)butanoyl]amino]carbamodithioate

Systemtic Name: potassium N-[[3-(4-chlorophenyl)-4-(phenylsulfonyl)butanoyl]amino]carbamodithioate Openeye Name: potassium N-[[4-(benzenesulfonyl)-3-(4-chlorophenyl)butanoyl]amino]carbamodithioate CAS Name: potassium N-[[4-(benzenesulfonyl)-3-(4-chlorophenyl)-1-oxobutyl]amino]carbamodithioate IUPAC Name: potassium N-[[4-(benzenesulfonyl)-3-(4-chlorophenyl)butanoyl]amino]carbamodithioate Traditional Name: potassium N-[[4-besyl-3-(4-chlorophenyl)butanoyl]amino]carbamodithioate Formula: C17H16ClKN2O3S3 MolecularWeight: 467.06684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN2O3S3.K/c18-14-8-6-12(7-9-14)13(10-16(21)19-20-17(24)25)11-26(22,23)15-4-2-1-3-5-15;/h1-9,13H,10-11H2,(H,19,21)(H2,20,24,25);/q;+1/p-1