N-[4-(1-phenylethylcarbamothioylamino)phenyl]sulfonylbenzamide

Systemtic Name: N-[4-(1-phenylethylcarbamothioylamino)phenyl]sulfonylbenzamide Openeye Name: N-[4-(1-phenylethylcarbamothioylamino)phenyl]sulfonylbenzamide CAS Name: N-[4-[[(1-phenylethylamino)-sulfanylidenemethyl]amino]phenyl]sulfonylbenzamide IUPAC Name: N-[4-(1-phenylethylcarbamothioylamino)phenyl]sulfonylbenzamide Traditional Name: N-[4-(1-phenylethylthiocarbamoylamino)phenyl]sulfonylbenzamide Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O3S2/c1-16(17-8-4-2-5-9-17)23-22(29)24-19-12-14-20(15-13-19)30(27,28)25-21(26)18-10-6-3-7-11-18/h2-16H,1H3,(H,25,26)(H2,23,24,29)