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

Systemtic Name: 2-(pyridin-4-ylmethylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-(4-pyridylmethylcarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[oxo-(pyridin-4-ylmethylamino)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-(pyridin-4-ylmethylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-(4-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=CC=NC=C3)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O2S/c17-14(21)13-11-3-1-2-4-12(11)23-15(13)20-16(22)19-9-10-5-7-18-8-6-10/h5-8H,1-4,9H2,(H2,17,21)(H2,19,20,22)