N-(1-phenethylpiperidin-4-yl)-N-phenyl-propanamide thiocyanate

Systemtic Name: N-(1-phenethylpiperidin-4-yl)-N-phenyl-propanamide thiocyanate Openeye Name: N-(1-phenethyl-4-piperidyl)-N-phenyl-propanamide thiocyanate CAS Name: N-(1-phenethyl-4-piperidinyl)-N-phenylpropanamide thiocyanate IUPAC Name: N-(1-phenethylpiperidin-4-yl)-N-phenylpropanamide thiocyanate Traditional Name: N-(1-phenethyl-4-piperidyl)-N-phenyl-propionamide thiocyanate Formula: C23H28N3OS- MolecularWeight: 394.55292

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3.C(#N)[S-]

Isomeric SMILES

CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3.C(#N)[S-]

InChI

InChI=1S/C22H28N2O.CHNS/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19;2-1-3/h3-12,21H,2,13-18H2,1H3;3H/p-1