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

Systemtic Name: N-[3-(1-benzothiophen-3-yl)-1-(cyanomethylamino)-1-oxidanylidene-propan-2-yl]-2-nitro-benzamide Openeye Name: N-[1-(benzothiophen-3-ylmethyl)-2-(cyanomethylamino)-2-oxo-ethyl]-2-nitro-benzamide CAS Name: N-[3-(1-benzothiophen-3-yl)-1-(cyanomethylamino)-1-oxopropan-2-yl]-2-nitrobenzamide IUPAC Name: N-[3-(1-benzothiophen-3-yl)-1-(cyanomethylamino)-1-oxopropan-2-yl]-2-nitrobenzamide Traditional Name: N-[1-(benzothiophen-3-ylmethyl)-2-(cyanomethylamino)-2-keto-ethyl]-2-nitro-benzamide Formula: C20H16N4O4S MolecularWeight: 408.43044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4O4S/c21-9-10-22-20(26)16(11-13-12-29-18-8-4-2-5-14(13)18)23-19(25)15-6-1-3-7-17(15)24(27)28/h1-8,12,16H,10-11H2,(H,22,26)(H,23,25)