N-[6-[4-[3-(diethylamino)-2-oxidanyl-propyl]piperazin-1-yl]pyridin-3-yl]thiophene-2-carboxamide

Systemtic Name: N-[6-[4-[3-(diethylamino)-2-oxidanyl-propyl]piperazin-1-yl]pyridin-3-yl]thiophene-2-carboxamide Openeye Name: N-[6-[4-[3-(diethylamino)-2-hydroxy-propyl]piperazin-1-yl]-3-pyridyl]thiophene-2-carboxamide CAS Name: N-[6-[4-[3-(diethylamino)-2-hydroxypropyl]-1-piperazinyl]-3-pyridinyl]-2-thiophenecarboxamide IUPAC Name: N-[6-[4-[3-(diethylamino)-2-hydroxypropyl]piperazin-1-yl]pyridin-3-yl]thiophene-2-carboxamide Traditional Name: N-[6-[4-[3-(diethylamino)-2-hydroxy-propyl]piperazino]-3-pyridyl]thiophene-2-carboxamide Formula: C21H31N5O2S MolecularWeight: 417.56814

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(CN1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=CS3)O

Isomeric SMILES

CCN(CC)CC(CN1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=CS3)O

InChI

InChI=1S/C21H31N5O2S/c1-3-24(4-2)15-18(27)16-25-9-11-26(12-10-25)20-8-7-17(14-22-20)23-21(28)19-6-5-13-29-19/h5-8,13-14,18,27H,3-4,9-12,15-16H2,1-2H3,(H,23,28)