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

Systemtic Name: N-[3-[(phenylmethyl)-propan-2-yl-amino]propyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Openeye Name: N-[3-[benzyl(isopropyl)amino]propyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide CAS Name: N-[3-[(phenylmethyl)-propan-2-ylamino]propyl]-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-3-piperidinecarboxamide IUPAC Name: N-[3-[benzyl(propan-2-yl)amino]propyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Traditional Name: N-[3-[benzyl(isopropyl)amino]propyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)nipecotamide Formula: C25H34N6OS MolecularWeight: 466.64206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCCNC(=O)C1CCCN(C1)C2=NN=C(S2)N3C=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)N(CCCNC(=O)C1CCCN(C1)C2=NN=C(S2)N3C=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H34N6OS/c1-20(2)30(18-21-10-4-3-5-11-21)17-9-13-26-23(32)22-12-8-16-31(19-22)25-28-27-24(33-25)29-14-6-7-15-29/h3-7,10-11,14-15,20,22H,8-9,12-13,16-19H2,1-2H3,(H,26,32)