2-benzamido-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Systemtic Name: 2-benzamido-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: 2-benzamido-N-(3-pyridylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: 2-benzamido-N-(3-pyridinylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: 2-benzamido-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: 2-benzamido-N-(3-pyridylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C(=O)NCC3=CN=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C(=O)NCC3=CN=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H23N3O2S/c27-21(17-9-3-1-4-10-17)26-23-20(18-11-5-2-6-12-19(18)29-23)22(28)25-15-16-8-7-13-24-14-16/h1,3-4,7-10,13-14H,2,5-6,11-12,15H2,(H,25,28)(H,26,27)