2-[2-(5-nitropyridin-2-yl)sulfanylethanoylamino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(5-nitropyridin-2-yl)sulfanylethanoylamino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-benzyl-2-[[2-[(5-nitro-2-pyridyl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[(5-nitro-2-pyridinyl)thio]-1-oxoethyl]amino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-benzyl-2-[[2-(5-nitropyridin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-benzyl-2-[[2-[(5-nitro-2-pyridyl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H22N4O4S2 MolecularWeight: 482.57518

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC=C(C=C3)[N+](=O)[O-])C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC=C(C=C3)[N+](=O)[O-])C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C23H22N4O4S2/c28-19(14-32-20-11-10-16(13-24-20)27(30)31)26-23-21(17-8-4-5-9-18(17)33-23)22(29)25-12-15-6-2-1-3-7-15/h1-3,6-7,10-11,13H,4-5,8-9,12,14H2,(H,25,29)(H,26,28)