1-[3-[[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-propan-2-yl-amino]propanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[3-[[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-propan-2-yl-amino]propanoyl]piperidine-4-carboxamide Openeye Name: 1-[3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-isopropyl-amino]propanoyl]piperidine-4-carboxamide CAS Name: 1-[1-oxo-3-[[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]propyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]propanoyl]piperidine-4-carboxamide Traditional Name: 1-[3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-isopropyl-amino]propanoyl]isonipecotamide Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCC(=O)N1CCC(CC1)C(=O)N)C2=NC(=NS2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)N(CCC(=O)N1CCC(CC1)C(=O)N)C2=NC(=NS2)CC3=CC=CC=C3

InChI

InChI=1S/C21H29N5O2S/c1-15(2)26(13-10-19(27)25-11-8-17(9-12-25)20(22)28)21-23-18(24-29-21)14-16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3,(H2,22,28)