N-[3-[1-[3-(tert-butylcarbamothioylamino)-3-phenyl-propyl]piperidin-4-yl]phenyl]-2-methyl-propanamide

Systemtic Name: N-[3-[1-[3-(tert-butylcarbamothioylamino)-3-phenyl-propyl]piperidin-4-yl]phenyl]-2-methyl-propanamide Openeye Name: N-[3-[1-[3-(tert-butylcarbamothioylamino)-3-phenyl-propyl]-4-piperidyl]phenyl]-2-methyl-propanamide CAS Name: N-[3-[1-[3-[[(tert-butylamino)-sulfanylidenemethyl]amino]-3-phenylpropyl]-4-piperidinyl]phenyl]-2-methylpropanamide IUPAC Name: N-[3-[1-[3-(tert-butylcarbamothioylamino)-3-phenylpropyl]piperidin-4-yl]phenyl]-2-methylpropanamide Traditional Name: N-[3-[1-[3-(tert-butylthiocarbamoylamino)-3-phenyl-propyl]-4-piperidyl]phenyl]-2-methyl-propionamide Formula: C29H42N4OS MolecularWeight: 494.73498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)C2CCN(CC2)CCC(C3=CC=CC=C3)NC(=S)NC(C)(C)C

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)C2CCN(CC2)CCC(C3=CC=CC=C3)NC(=S)NC(C)(C)C

InChI

InChI=1S/C29H42N4OS/c1-21(2)27(34)30-25-13-9-12-24(20-25)22-14-17-33(18-15-22)19-16-26(23-10-7-6-8-11-23)31-28(35)32-29(3,4)5/h6-13,20-22,26H,14-19H2,1-5H3,(H,30,34)(H2,31,32,35)