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

Systemtic Name: N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-4-[(4-propan-2-ylphenyl)carbamothioylamino]butanamide Openeye Name: 4-[(4-isopropylphenyl)carbamothioylamino]-N-[3-[3-(1-piperidylmethyl)phenoxy]propyl]butanamide CAS Name: N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]-4-[[(4-propan-2-ylanilino)-sulfanylidenemethyl]amino]butanamide IUPAC Name: N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-4-[(4-propan-2-ylphenyl)carbamothioylamino]butanamide Traditional Name: 4-(p-cumenylthiocarbamoylamino)-N-[3-[3-(piperidinomethyl)phenoxy]propyl]butyramide Formula: C29H42N4O2S MolecularWeight: 510.73438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)NCCCC(=O)NCCCOC2=CC=CC(=C2)CN3CCCCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)NCCCC(=O)NCCCOC2=CC=CC(=C2)CN3CCCCC3

InChI

InChI=1S/C29H42N4O2S/c1-23(2)25-12-14-26(15-13-25)32-29(36)31-16-7-11-28(34)30-17-8-20-35-27-10-6-9-24(21-27)22-33-18-4-3-5-19-33/h6,9-10,12-15,21,23H,3-5,7-8,11,16-20,22H2,1-2H3,(H,30,34)(H2,31,32,36)