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

Systemtic Name: 4-[(2-methylphenyl)carbamothioylamino]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide Openeye Name: 4-(o-tolylcarbamothioylamino)-N-[3-[3-(1-piperidylmethyl)phenoxy]propyl]butanamide CAS Name: 4-[[(2-methylanilino)-sulfanylidenemethyl]amino]-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]butanamide IUPAC Name: 4-[(2-methylphenyl)carbamothioylamino]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide Traditional Name: 4-(o-tolylthiocarbamoylamino)-N-[3-[3-(piperidinomethyl)phenoxy]propyl]butyramide Formula: C27H38N4O2S MolecularWeight: 482.68122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NCCCC(=O)NCCCOC2=CC=CC(=C2)CN3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NCCCC(=O)NCCCOC2=CC=CC(=C2)CN3CCCCC3

InChI

InChI=1S/C27H38N4O2S/c1-22-10-3-4-13-25(22)30-27(34)29-15-8-14-26(32)28-16-9-19-33-24-12-7-11-23(20-24)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)