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

Systemtic Name: 4-(dimethylamino)-N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-3-nitro-benzamide Openeye Name: 4-(dimethylamino)-N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-3-nitro-benzamide CAS Name: 4-(dimethylamino)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-nitrobenzamide IUPAC Name: 4-(dimethylamino)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-nitrobenzamide Traditional Name: 4-(dimethylamino)-N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-3-nitro-benzamide Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)NCC(C2=CC=CS2)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)NCC(C2=CC=CS2)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O3S/c1-19(2)13-8-7-12(10-14(13)21(23)24)17(22)18-11-15(20(3)4)16-6-5-9-25-16/h5-10,15H,11H2,1-4H3,(H,18,22)