4-[[2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-butanoyl]amino]-N-phenyl-piperidine-1-carboxamide

Systemtic Name: 4-[[2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-butanoyl]amino]-N-phenyl-piperidine-1-carboxamide Openeye Name: 4-[[2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-butanoyl]amino]-N-phenyl-piperidine-1-carboxamide CAS Name: 4-[[2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-1-oxobutyl]amino]-N-phenyl-1-piperidinecarboxamide IUPAC Name: 4-[[2-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanoyl]amino]-N-phenylpiperidine-1-carboxamide Traditional Name: 4-[[2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-butanoyl]amino]-N-phenyl-piperidine-1-carboxamide Formula: C26H32N4O2S MolecularWeight: 464.62288

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC1=NC2=CC=CC=C2S1)C(=O)NC3CCN(CC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CCC(CC)(CC1=NC2=CC=CC=C2S1)C(=O)NC3CCN(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O2S/c1-3-26(4-2,18-23-29-21-12-8-9-13-22(21)33-23)24(31)27-20-14-16-30(17-15-20)25(32)28-19-10-6-5-7-11-19/h5-13,20H,3-4,14-18H2,1-2H3,(H,27,31)(H,28,32)