N-(2-diethylaminoethyl)-4-(2-phenylethanoylcarbamothioylamino)benzamide

Systemtic Name: N-(2-diethylaminoethyl)-4-(2-phenylethanoylcarbamothioylamino)benzamide Openeye Name: N-(2-diethylaminoethyl)-4-[(2-phenylacetyl)carbamothioylamino]benzamide CAS Name: N-(2-diethylaminoethyl)-4-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(2-diethylaminoethyl)-4-[(2-phenylacetyl)carbamothioylamino]benzamide Traditional Name: N-(2-diethylaminoethyl)-4-[(2-phenylacetyl)thiocarbamoylamino]benzamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C22H28N4O2S/c1-3-26(4-2)15-14-23-21(28)18-10-12-19(13-11-18)24-22(29)25-20(27)16-17-8-6-5-7-9-17/h5-13H,3-4,14-16H2,1-2H3,(H,23,28)(H2,24,25,27,29)