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

Systemtic Name: [[3-phenyl-4-(phenylmethyl)sulfonyl-butanoyl]amino]carbamodithioic acid Openeye Name: [(4-benzylsulfonyl-3-phenyl-butanoyl)amino]carbamodithioic acid CAS Name: [[1-oxo-3-phenyl-4-(phenylmethyl)sulfonylbutyl]amino]carbamodithioic acid IUPAC Name: [(4-benzylsulfonyl-3-phenylbutanoyl)amino]carbamodithioic acid Traditional Name: [(4-benzylsulfonyl-3-phenyl-butanoyl)amino]carbamodithioic acid Formula: C18H20N2O3S3 MolecularWeight: 408.558

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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=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O3S3/c21-17(19-20-18(24)25)11-16(15-9-5-2-6-10-15)13-26(22,23)12-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,19,21)(H2,20,24,25)