N-(2-methylsulfanylphenyl)-3-[4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperazin-1-yl]propanamide

Systemtic Name: N-(2-methylsulfanylphenyl)-3-[4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperazin-1-yl]propanamide Openeye Name: 3-[4-[2-(benzylamino)-2-oxo-ethyl]piperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide CAS Name: N-[2-(methylthio)phenyl]-3-[4-[2-oxo-2-[(phenylmethyl)amino]ethyl]-1-piperazinyl]propanamide IUPAC Name: 3-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide Traditional Name: 3-[4-[2-(benzylamino)-2-keto-ethyl]piperazino]-N-[2-(methylthio)phenyl]propionamide Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CCN2CCN(CC2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CCN2CCN(CC2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H30N4O2S/c1-30-21-10-6-5-9-20(21)25-22(28)11-12-26-13-15-27(16-14-26)18-23(29)24-17-19-7-3-2-4-8-19/h2-10H,11-18H2,1H3,(H,24,29)(H,25,28)