3-[(4-methylsulfanylphenyl)carbamoyl-propyl-amino]-N-[1-(phenylmethyl)piperidin-4-yl]propanamide

Systemtic Name: 3-[(4-methylsulfanylphenyl)carbamoyl-propyl-amino]-N-[1-(phenylmethyl)piperidin-4-yl]propanamide Openeye Name: N-(1-benzyl-4-piperidyl)-3-[(4-methylsulfanylphenyl)carbamoyl-propyl-amino]propanamide CAS Name: 3-[[[4-(methylthio)anilino]-oxomethyl]-propylamino]-N-[1-(phenylmethyl)-4-piperidinyl]propanamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-3-[(4-methylsulfanylphenyl)carbamoyl-propylamino]propanamide Traditional Name: N-(1-benzyl-4-piperidyl)-3-[[4-(methylthio)phenyl]carbamoyl-propyl-amino]propionamide Formula: C26H36N4O2S MolecularWeight: 468.65464

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC(=O)NC1CCN(CC1)CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

CCCN(CCC(=O)NC1CCN(CC1)CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C26H36N4O2S/c1-3-16-30(26(32)28-22-9-11-24(33-2)12-10-22)19-15-25(31)27-23-13-17-29(18-14-23)20-21-7-5-4-6-8-21/h4-12,23H,3,13-20H2,1-2H3,(H,27,31)(H,28,32)