N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-3-nitro-4-phenylazanyl-benzamide

Systemtic Name: N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-3-nitro-4-phenylazanyl-benzamide Openeye Name: 4-anilino-N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-3-nitro-benzamide CAS Name: 4-anilino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-nitrobenzamide IUPAC Name: 4-anilino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-nitrobenzamide Traditional Name: 4-anilino-N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-3-nitro-benzamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=CC(=C(C=C1)NC2=CC=CC=C2)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

CN(C)C(CNC(=O)C1=CC(=C(C=C1)NC2=CC=CC=C2)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C21H22N4O3S/c1-24(2)19(20-9-6-12-29-20)14-22-21(26)15-10-11-17(18(13-15)25(27)28)23-16-7-4-3-5-8-16/h3-13,19,23H,14H2,1-2H3,(H,22,26)