N-cyclododecyl-3-[(4-methylphenyl)sulfonylcarbamothioylamino]benzamide

Systemtic Name: N-cyclododecyl-3-[(4-methylphenyl)sulfonylcarbamothioylamino]benzamide Openeye Name: N-cyclododecyl-3-(p-tolylsulfonylcarbamothioylamino)benzamide CAS Name: N-cyclododecyl-3-[[[(4-methylphenyl)sulfonylamino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-cyclododecyl-3-[(4-methylphenyl)sulfonylcarbamothioylamino]benzamide Traditional Name: N-cyclododecyl-3-(tosylthiocarbamoylamino)benzamide Formula: C27H37N3O3S2 MolecularWeight: 515.73098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3CCCCCCCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3CCCCCCCCCCC3

InChI

InChI=1S/C27H37N3O3S2/c1-21-16-18-25(19-17-21)35(32,33)30-27(34)29-24-15-11-12-22(20-24)26(31)28-23-13-9-7-5-3-2-4-6-8-10-14-23/h11-12,15-20,23H,2-10,13-14H2,1H3,(H,28,31)(H2,29,30,34)