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

Systemtic Name: N-[6-[4-(2-oxidanyl-3-prop-2-ynoxy-propyl)piperazin-1-yl]pyridin-3-yl]thiophene-2-carboxamide Openeye Name: N-[6-[4-(2-hydroxy-3-prop-2-ynoxy-propyl)piperazin-1-yl]-3-pyridyl]thiophene-2-carboxamide CAS Name: N-[6-[4-(2-hydroxy-3-prop-2-ynoxypropyl)-1-piperazinyl]-3-pyridinyl]-2-thiophenecarboxamide IUPAC Name: N-[6-[4-(2-hydroxy-3-prop-2-ynoxypropyl)piperazin-1-yl]pyridin-3-yl]thiophene-2-carboxamide Traditional Name: N-[6-[4-(2-hydroxy-3-propargyloxy-propyl)piperazino]-3-pyridyl]thiophene-2-carboxamide Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O3S/c1-2-11-27-15-17(25)14-23-7-9-24(10-8-23)19-6-5-16(13-21-19)22-20(26)18-4-3-12-28-18/h1,3-6,12-13,17,25H,7-11,14-15H2,(H,22,26)