4-azanyl-2-[(4-phenylmethoxyphenyl)amino]-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide

Systemtic Name: 4-azanyl-2-[(4-phenylmethoxyphenyl)amino]-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide Openeye Name: 4-amino-2-(4-benzyloxyanilino)-N-[(3S)-3-piperidyl]thiazole-5-carboxamide CAS Name: 4-amino-2-(4-phenylmethoxyanilino)-N-[(3S)-3-piperidinyl]-5-thiazolecarboxamide IUPAC Name: 4-amino-2-(4-phenylmethoxyanilino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide Traditional Name: 4-amino-2-(4-benzoxyanilino)-N-[(3S)-3-piperidyl]thiazole-5-carboxamide Formula: C22H25N5O2S MolecularWeight: 423.5312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)NC(=O)C2=C(N=C(S2)NC3=CC=C(C=C3)OCC4=CC=CC=C4)N

Isomeric SMILES

C1C[C@@H](CNC1)NC(=O)C2=C(N=C(S2)NC3=CC=C(C=C3)OCC4=CC=CC=C4)N

InChI

InChI=1S/C22H25N5O2S/c23-20-19(21(28)25-17-7-4-12-24-13-17)30-22(27-20)26-16-8-10-18(11-9-16)29-14-15-5-2-1-3-6-15/h1-3,5-6,8-11,17,24H,4,7,12-14,23H2,(H,25,28)(H,26,27)/t17-/m0/s1