4-[(2-methylsulfanylphenyl)carbamothioylamino]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide

Systemtic Name: 4-[(2-methylsulfanylphenyl)carbamothioylamino]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide Openeye Name: 4-[(2-methylsulfanylphenyl)carbamothioylamino]-N-[3-[3-(1-piperidylmethyl)phenoxy]propyl]butanamide CAS Name: 4-[[[2-(methylthio)anilino]-sulfanylidenemethyl]amino]-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]butanamide IUPAC Name: 4-[(2-methylsulfanylphenyl)carbamothioylamino]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide Traditional Name: 4-[[2-(methylthio)phenyl]thiocarbamoylamino]-N-[3-[3-(piperidinomethyl)phenoxy]propyl]butyramide Formula: C27H38N4O2S2 MolecularWeight: 514.74622

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=S)NCCCC(=O)NCCCOC2=CC=CC(=C2)CN3CCCCC3

Isomeric SMILES

CSC1=CC=CC=C1NC(=S)NCCCC(=O)NCCCOC2=CC=CC(=C2)CN3CCCCC3

InChI

InChI=1S/C27H38N4O2S2/c1-35-25-13-4-3-12-24(25)30-27(34)29-15-8-14-26(32)28-16-9-19-33-23-11-7-10-22(20-23)21-31-17-5-2-6-18-31/h3-4,7,10-13,20H,2,5-6,8-9,14-19,21H2,1H3,(H,28,32)(H2,29,30,34)