[[3-(4-chlorophenyl)-4-(phenylmethyl)sulfonyl-butanoyl]amino]carbamodithioic acid

Systemtic Name: [[3-(4-chlorophenyl)-4-(phenylmethyl)sulfonyl-butanoyl]amino]carbamodithioic acid Openeye Name: [[4-benzylsulfonyl-3-(4-chlorophenyl)butanoyl]amino]carbamodithioic acid CAS Name: [[3-(4-chlorophenyl)-1-oxo-4-(phenylmethyl)sulfonylbutyl]amino]carbamodithioic acid IUPAC Name: [[4-benzylsulfonyl-3-(4-chlorophenyl)butanoyl]amino]carbamodithioic acid Traditional Name: [[4-benzylsulfonyl-3-(4-chlorophenyl)butanoyl]amino]carbamodithioic acid Formula: C18H19ClN2O3S3 MolecularWeight: 443.00306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CC(CC(=O)NNC(=S)S)C2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CC(CC(=O)NNC(=S)S)C2=CC=C(C=C2)Cl

InChI

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