2-(pyridin-3-ylmethylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-(pyridin-3-ylmethylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-(3-pyridylmethylcarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[oxo-(3-pyridinylmethylamino)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-(pyridin-3-ylmethylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-(3-pyridylmethylcarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)NCC3=CN=CC=C3)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)NCC3=CN=CC=C3)C(=O)N

InChI

InChI=1S/C16H18N4O2S/c17-14(21)13-11-5-1-2-6-12(11)23-15(13)20-16(22)19-9-10-4-3-7-18-8-10/h3-4,7-8H,1-2,5-6,9H2,(H2,17,21)(H2,19,20,22)