N-(2-diethylaminoethyl)-4-(3-phenylpropanoylcarbamothioylamino)benzamide

Systemtic Name: N-(2-diethylaminoethyl)-4-(3-phenylpropanoylcarbamothioylamino)benzamide Openeye Name: N-(2-diethylaminoethyl)-4-(3-phenylpropanoylcarbamothioylamino)benzamide CAS Name: N-(2-diethylaminoethyl)-4-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(2-diethylaminoethyl)-4-(3-phenylpropanoylcarbamothioylamino)benzamide Traditional Name: N-(2-diethylaminoethyl)-4-(hydrocinnamoylthiocarbamoylamino)benzamide Formula: C23H30N4O2S MolecularWeight: 426.5749

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C23H30N4O2S/c1-3-27(4-2)17-16-24-22(29)19-11-13-20(14-12-19)25-23(30)26-21(28)15-10-18-8-6-5-7-9-18/h5-9,11-14H,3-4,10,15-17H2,1-2H3,(H,24,29)(H2,25,26,28,30)