2-chloranyl-N-[2-[[2-(dimethylamino)-2-thiophen-3-yl-ethyl]carbamoyl]phenyl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[2-[[2-(dimethylamino)-2-thiophen-3-yl-ethyl]carbamoyl]phenyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[2-[[2-(dimethylamino)-2-(3-thienyl)ethyl]carbamoyl]phenyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[2-[[[2-(dimethylamino)-2-(3-thiophenyl)ethyl]amino]-oxomethyl]phenyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[2-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoyl]phenyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[2-[[2-(dimethylamino)-2-(3-thienyl)ethyl]carbamoyl]phenyl]-4-nitro-benzamide Formula: C22H21ClN4O4S MolecularWeight: 472.94454

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=CC=CC=C1NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=CSC=C3

Isomeric SMILES

CN(C)C(CNC(=O)C1=CC=CC=C1NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=CSC=C3

InChI

InChI=1S/C22H21ClN4O4S/c1-26(2)20(14-9-10-32-13-14)12-24-21(28)17-5-3-4-6-19(17)25-22(29)16-8-7-15(27(30)31)11-18(16)23/h3-11,13,20H,12H2,1-2H3,(H,24,28)(H,25,29)