2-[methyl(phenyl)amino]-N-[[(3S)-1-phenethylpiperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[methyl(phenyl)amino]-N-[[(3S)-1-phenethylpiperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-(N-methylanilino)-N-[[(3S)-1-phenethyl-3-piperidyl]methyl]thiazole-4-carboxamide CAS Name: 2-(N-methylanilino)-N-[[(3S)-1-phenethyl-3-piperidinyl]methyl]-4-thiazolecarboxamide IUPAC Name: 2-(N-methylanilino)-N-[[(3S)-1-phenethylpiperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-(N-methylanilino)-N-[[(3S)-1-phenethyl-3-piperidyl]methyl]thiazole-4-carboxamide Formula: C25H30N4OS MolecularWeight: 434.5969

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=NC(=CS2)C(=O)NCC3CCCN(C3)CCC4=CC=CC=C4

Isomeric SMILES

CN(C1=CC=CC=C1)C2=NC(=CS2)C(=O)NC[C@@H]3CCCN(C3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H30N4OS/c1-28(22-12-6-3-7-13-22)25-27-23(19-31-25)24(30)26-17-21-11-8-15-29(18-21)16-14-20-9-4-2-5-10-20/h2-7,9-10,12-13,19,21H,8,11,14-18H2,1H3,(H,26,30)/t21-/m0/s1