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

Systemtic Name: 4-(dimethylamino)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-yl-ethyl]-3-nitro-benzamide Openeye Name: 4-(dimethylamino)-N-[(2S)-2-morpholino-2-(2-thienyl)ethyl]-3-nitro-benzamide CAS Name: 4-(dimethylamino)-N-[(2S)-2-(4-morpholinyl)-2-thiophen-2-ylethyl]-3-nitrobenzamide IUPAC Name: 4-(dimethylamino)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-3-nitrobenzamide Traditional Name: 4-(dimethylamino)-N-[(2S)-2-morpholino-2-(2-thienyl)ethyl]-3-nitro-benzamide Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)NCC(C2=CC=CS2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)NC[C@@H](C2=CC=CS2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O4S/c1-21(2)15-6-5-14(12-16(15)23(25)26)19(24)20-13-17(18-4-3-11-28-18)22-7-9-27-10-8-22/h3-6,11-12,17H,7-10,13H2,1-2H3,(H,20,24)/t17-/m0/s1