N-[4-(phenethylcarbamothioylamino)phenyl]sulfonylbenzamide

Systemtic Name: N-[4-(phenethylcarbamothioylamino)phenyl]sulfonylbenzamide Openeye Name: N-[4-(phenethylcarbamothioylamino)phenyl]sulfonylbenzamide CAS Name: N-[4-[[(phenethylamino)-sulfanylidenemethyl]amino]phenyl]sulfonylbenzamide IUPAC Name: N-[4-(phenethylcarbamothioylamino)phenyl]sulfonylbenzamide Traditional Name: N-[4-(phenethylthiocarbamoylamino)phenyl]sulfonylbenzamide Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3S2/c26-21(18-9-5-2-6-10-18)25-30(27,28)20-13-11-19(12-14-20)24-22(29)23-16-15-17-7-3-1-4-8-17/h1-14H,15-16H2,(H,25,26)(H2,23,24,29)