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

Systemtic Name: potassium N-[[4-[(4-chlorophenyl)methylsulfonyl]-3-phenyl-butanoyl]amino]carbamodithioate Openeye Name: potassium N-[[4-[(4-chlorophenyl)methylsulfonyl]-3-phenyl-butanoyl]amino]carbamodithioate CAS Name: potassium N-[[4-[(4-chlorophenyl)methylsulfonyl]-1-oxo-3-phenylbutyl]amino]carbamodithioate IUPAC Name: potassium N-[[4-[(4-chlorophenyl)methylsulfonyl]-3-phenylbutanoyl]amino]carbamodithioate Traditional Name: potassium N-[[4-(4-chlorobenzyl)sulfonyl-3-phenyl-butanoyl]amino]carbamodithioate Formula: C18H18ClKN2O3S3 MolecularWeight: 481.09342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O3S3.K/c19-16-8-6-13(7-9-16)11-27(23,24)12-15(14-4-2-1-3-5-14)10-17(22)20-21-18(25)26;/h1-9,15H,10-12H2,(H,20,22)(H2,21,25,26);/q;+1/p-1