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

Systemtic Name: [[3-(4-methylphenyl)-4-(phenylsulfonyl)butanoyl]amino]carbamodithioic acid Openeye Name: [[4-(benzenesulfonyl)-3-(p-tolyl)butanoyl]amino]carbamodithioic acid CAS Name: [[4-(benzenesulfonyl)-3-(4-methylphenyl)-1-oxobutyl]amino]carbamodithioic acid IUPAC Name: [[4-(benzenesulfonyl)-3-(4-methylphenyl)butanoyl]amino]carbamodithioic acid Traditional Name: [[4-besyl-3-(p-tolyl)butanoyl]amino]carbamodithioic acid Formula: C18H20N2O3S3 MolecularWeight: 408.558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O3S3/c1-13-7-9-14(10-8-13)15(11-17(21)19-20-18(24)25)12-26(22,23)16-5-3-2-4-6-16/h2-10,15H,11-12H2,1H3,(H,19,21)(H2,20,24,25)