N-[6-[4-(2-oxidanyl-3-prop-2-enoxy-propyl)-1,4-diazepan-1-yl]pyridin-3-yl]thiophene-2-carboxamide

Systemtic Name: N-[6-[4-(2-oxidanyl-3-prop-2-enoxy-propyl)-1,4-diazepan-1-yl]pyridin-3-yl]thiophene-2-carboxamide Openeye Name: N-[6-[4-(3-allyloxy-2-hydroxy-propyl)-1,4-diazepan-1-yl]-3-pyridyl]thiophene-2-carboxamide CAS Name: N-[6-[4-(2-hydroxy-3-prop-2-enoxypropyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-thiophenecarboxamide IUPAC Name: N-[6-[4-(2-hydroxy-3-prop-2-enoxypropyl)-1,4-diazepan-1-yl]pyridin-3-yl]thiophene-2-carboxamide Traditional Name: N-[6-[4-(3-allyloxy-2-hydroxy-propyl)-1,4-diazepan-1-yl]-3-pyridyl]thiophene-2-carboxamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOCC(CN1CCCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=CS3)O

Isomeric SMILES

C=CCOCC(CN1CCCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=CS3)O

InChI

InChI=1S/C21H28N4O3S/c1-2-12-28-16-18(26)15-24-8-4-9-25(11-10-24)20-7-6-17(14-22-20)23-21(27)19-5-3-13-29-19/h2-3,5-7,13-14,18,26H,1,4,8-12,15-16H2,(H,23,27)