4-(methylcarbamothioylamino)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide

Systemtic Name: 4-(methylcarbamothioylamino)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide Openeye Name: 4-(methylcarbamothioylamino)-N-[3-[3-(1-piperidylmethyl)phenoxy]propyl]butanamide CAS Name: 4-[[methylamino(sulfanylidene)methyl]amino]-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]butanamide IUPAC Name: 4-(methylcarbamothioylamino)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide Traditional Name: 4-(methylthiocarbamoylamino)-N-[3-[3-(piperidinomethyl)phenoxy]propyl]butyramide Formula: C21H34N4O2S MolecularWeight: 406.58526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NCCCC(=O)NCCCOC1=CC=CC(=C1)CN2CCCCC2

Isomeric SMILES

CNC(=S)NCCCC(=O)NCCCOC1=CC=CC(=C1)CN2CCCCC2

InChI

InChI=1S/C21H34N4O2S/c1-22-21(28)24-11-6-10-20(26)23-12-7-15-27-19-9-5-8-18(16-19)17-25-13-3-2-4-14-25/h5,8-9,16H,2-4,6-7,10-15,17H2,1H3,(H,23,26)(H2,22,24,28)