N-[(3S,4S)-3-methyl-1-phenethyl-piperidin-4-yl]-N-pyrimidin-2-yl-thiophene-3-carboxamide

Systemtic Name: N-[(3S,4S)-3-methyl-1-phenethyl-piperidin-4-yl]-N-pyrimidin-2-yl-thiophene-3-carboxamide Openeye Name: N-[(3S,4S)-3-methyl-1-phenethyl-4-piperidyl]-N-pyrimidin-2-yl-thiophene-3-carboxamide CAS Name: N-[(3S,4S)-3-methyl-1-phenethyl-4-piperidinyl]-N-(2-pyrimidinyl)-3-thiophenecarboxamide IUPAC Name: N-[(3S,4S)-3-methyl-1-phenethylpiperidin-4-yl]-N-pyrimidin-2-ylthiophene-3-carboxamide Traditional Name: N-[(3S,4S)-3-methyl-1-phenethyl-4-piperidyl]-N-(2-pyrimidyl)thiophene-3-carboxamide Formula: C23H26N4OS MolecularWeight: 406.54374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1N(C2=NC=CC=N2)C(=O)C3=CSC=C3)CCC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CN(CC[C@@H]1N(C2=NC=CC=N2)C(=O)C3=CSC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H26N4OS/c1-18-16-26(13-8-19-6-3-2-4-7-19)14-9-21(18)27(23-24-11-5-12-25-23)22(28)20-10-15-29-17-20/h2-7,10-12,15,17-18,21H,8-9,13-14,16H2,1H3/t18-,21-/m0/s1