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

Systemtic Name: [[3-(4-methylphenyl)-4-(phenylmethyl)sulfonyl-butanoyl]amino]carbamodithioic acid Openeye Name: [[4-benzylsulfonyl-3-(p-tolyl)butanoyl]amino]carbamodithioic acid CAS Name: [[3-(4-methylphenyl)-1-oxo-4-(phenylmethyl)sulfonylbutyl]amino]carbamodithioic acid IUPAC Name: [[4-benzylsulfonyl-3-(4-methylphenyl)butanoyl]amino]carbamodithioic acid Traditional Name: [[4-benzylsulfonyl-3-(p-tolyl)butanoyl]amino]carbamodithioic acid Formula: C19H22N2O3S3 MolecularWeight: 422.58458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)NNC(=S)S)CS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)NNC(=S)S)CS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C19H22N2O3S3/c1-14-7-9-16(10-8-14)17(11-18(22)20-21-19(25)26)13-27(23,24)12-15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3,(H,20,22)(H2,21,25,26)