5-[(4-methylsulfanylphenyl)carbamoylamino]-2-piperidin-1-yl-N-propyl-benzamide

Systemtic Name: 5-[(4-methylsulfanylphenyl)carbamoylamino]-2-piperidin-1-yl-N-propyl-benzamide Openeye Name: 5-[(4-methylsulfanylphenyl)carbamoylamino]-2-(1-piperidyl)-N-propyl-benzamide CAS Name: 5-[[[4-(methylthio)anilino]-oxomethyl]amino]-2-(1-piperidinyl)-N-propylbenzamide IUPAC Name: 5-[(4-methylsulfanylphenyl)carbamoylamino]-2-piperidin-1-yl-N-propylbenzamide Traditional Name: 5-[[4-(methylthio)phenyl]carbamoylamino]-2-piperidino-N-propyl-benzamide Formula: C23H30N4O2S MolecularWeight: 426.5749

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=C(C=C2)SC)N3CCCCC3

Isomeric SMILES

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=C(C=C2)SC)N3CCCCC3

InChI

InChI=1S/C23H30N4O2S/c1-3-13-24-22(28)20-16-18(9-12-21(20)27-14-5-4-6-15-27)26-23(29)25-17-7-10-19(30-2)11-8-17/h7-12,16H,3-6,13-15H2,1-2H3,(H,24,28)(H2,25,26,29)