2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(4-chloro-3-nitro-benzoyl)amino]-N-(3-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-N-(3-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(4-chloro-3-nitrobenzoyl)amino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(4-chloro-3-nitro-benzoyl)amino]-N-(3-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H19ClN4O4S MolecularWeight: 470.92866

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C22H19ClN4O4S/c23-16-8-7-14(10-17(16)27(30)31)20(28)26-22-19(15-5-1-2-6-18(15)32-22)21(29)25-12-13-4-3-9-24-11-13/h3-4,7-11H,1-2,5-6,12H2,(H,25,29)(H,26,28)