N-[1-[2-[4-[(2-methyl-3-oxidanylidene-butanethioyl)amino]phenyl]ethyl]piperidin-4-yl]-N-phenyl-propanamide

Systemtic Name: N-[1-[2-[4-[(2-methyl-3-oxidanylidene-butanethioyl)amino]phenyl]ethyl]piperidin-4-yl]-N-phenyl-propanamide Openeye Name: N-[1-[2-[4-[(2-methyl-3-oxo-butanethioyl)amino]phenyl]ethyl]-4-piperidyl]-N-phenyl-propanamide CAS Name: N-[1-[2-[4-[(2-methyl-3-oxo-1-sulfanylidenebutyl)amino]phenyl]ethyl]-4-piperidinyl]-N-phenylpropanamide IUPAC Name: N-[1-[2-[4-[(2-methyl-3-oxobutanethioyl)amino]phenyl]ethyl]piperidin-4-yl]-N-phenylpropanamide Traditional Name: N-[1-[2-[4-[(3-keto-2-methyl-butanethioyl)amino]phenyl]ethyl]-4-piperidyl]-N-phenyl-propionamide Formula: C27H35N3O2S MolecularWeight: 465.6507

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1CCN(CC1)CCC2=CC=C(C=C2)NC(=S)C(C)C(=O)C)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)N(C1CCN(CC1)CCC2=CC=C(C=C2)NC(=S)C(C)C(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C27H35N3O2S/c1-4-26(32)30(24-8-6-5-7-9-24)25-15-18-29(19-16-25)17-14-22-10-12-23(13-11-22)28-27(33)20(2)21(3)31/h5-13,20,25H,4,14-19H2,1-3H3,(H,28,33)