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

Systemtic Name: 4-(cyclohexylcarbamothioylamino)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide Openeye Name: 4-(cyclohexylcarbamothioylamino)-N-[3-[3-(1-piperidylmethyl)phenoxy]propyl]butanamide CAS Name: 4-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]butanamide IUPAC Name: 4-(cyclohexylcarbamothioylamino)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide Traditional Name: 4-(cyclohexylthiocarbamoylamino)-N-[3-[3-(piperidinomethyl)phenoxy]propyl]butyramide Formula: C26H42N4O2S MolecularWeight: 474.70228

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NCCCC(=O)NCCCOC2=CC=CC(=C2)CN3CCCCC3

Isomeric SMILES

C1CCC(CC1)NC(=S)NCCCC(=O)NCCCOC2=CC=CC(=C2)CN3CCCCC3

InChI

InChI=1S/C26H42N4O2S/c31-25(14-8-15-28-26(33)29-23-11-3-1-4-12-23)27-16-9-19-32-24-13-7-10-22(20-24)21-30-17-5-2-6-18-30/h7,10,13,20,23H,1-6,8-9,11-12,14-19,21H2,(H,27,31)(H2,28,29,33)