4-[[(2-butylphenyl)amino]methyl]-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide

Systemtic Name: 4-[[(2-butylphenyl)amino]methyl]-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide Openeye Name: 4-[(2-butylanilino)methyl]-N-[4-(hydroxymethyl)thiazol-2-yl]piperidine-1-carboxamide CAS Name: 4-[(2-butylanilino)methyl]-N-[4-(hydroxymethyl)-2-thiazolyl]-1-piperidinecarboxamide IUPAC Name: 4-[(2-butylanilino)methyl]-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide Traditional Name: 4-[(2-butylanilino)methyl]-N-(4-methylolthiazol-2-yl)piperidine-1-carboxamide Formula: C21H30N4O2S MolecularWeight: 402.5535

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1NCC2CCN(CC2)C(=O)NC3=NC(=CS3)CO

Isomeric SMILES

CCCCC1=CC=CC=C1NCC2CCN(CC2)C(=O)NC3=NC(=CS3)CO

InChI

InChI=1S/C21H30N4O2S/c1-2-3-6-17-7-4-5-8-19(17)22-13-16-9-11-25(12-10-16)21(27)24-20-23-18(14-26)15-28-20/h4-5,7-8,15-16,22,26H,2-3,6,9-14H2,1H3,(H,23,24,27)