N-[3-(1-benzothiophen-3-yl)-1-(2-cyanoethylamino)-1-oxidanylidene-propan-2-yl]-2-nitro-benzamide

Systemtic Name: N-[3-(1-benzothiophen-3-yl)-1-(2-cyanoethylamino)-1-oxidanylidene-propan-2-yl]-2-nitro-benzamide Openeye Name: N-[1-(benzothiophen-3-ylmethyl)-2-(2-cyanoethylamino)-2-oxo-ethyl]-2-nitro-benzamide CAS Name: N-[3-(1-benzothiophen-3-yl)-1-(2-cyanoethylamino)-1-oxopropan-2-yl]-2-nitrobenzamide IUPAC Name: N-[3-(1-benzothiophen-3-yl)-1-(2-cyanoethylamino)-1-oxopropan-2-yl]-2-nitrobenzamide Traditional Name: N-[1-(benzothiophen-3-ylmethyl)-2-(2-cyanoethylamino)-2-keto-ethyl]-2-nitro-benzamide Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CS2)CC(C(=O)NCCC#N)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CS2)CC(C(=O)NCCC#N)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O4S/c22-10-5-11-23-21(27)17(12-14-13-30-19-9-4-2-6-15(14)19)24-20(26)16-7-1-3-8-18(16)25(28)29/h1-4,6-9,13,17H,5,11-12H2,(H,23,27)(H,24,26)