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

Systemtic Name: potassium N-[[4-(4-chlorophenyl)sulfonyl-3-phenyl-butanoyl]amino]carbamodithioate Openeye Name: potassium N-[[4-(4-chlorophenyl)sulfonyl-3-phenyl-butanoyl]amino]carbamodithioate CAS Name: potassium N-[[4-(4-chlorophenyl)sulfonyl-1-oxo-3-phenylbutyl]amino]carbamodithioate IUPAC Name: potassium N-[[4-(4-chlorophenyl)sulfonyl-3-phenylbutanoyl]amino]carbamodithioate Traditional Name: potassium N-[[4-(4-chlorophenyl)sulfonyl-3-phenyl-butanoyl]amino]carbamodithioate Formula: C17H16ClKN2O3S3 MolecularWeight: 467.06684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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