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

Systemtic Name: 3-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-yl-ethyl]-4-nitro-benzamide Openeye Name: 3-methyl-N-[(2S)-2-morpholino-2-(2-thienyl)ethyl]-4-nitro-benzamide CAS Name: 3-methyl-N-[(2S)-2-(4-morpholinyl)-2-thiophen-2-ylethyl]-4-nitrobenzamide IUPAC Name: 3-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-nitrobenzamide Traditional Name: 3-methyl-N-[(2S)-2-morpholino-2-(2-thienyl)ethyl]-4-nitro-benzamide Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC(C2=CC=CS2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC[C@@H](C2=CC=CS2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O4S/c1-13-11-14(4-5-15(13)21(23)24)18(22)19-12-16(17-3-2-10-26-17)20-6-8-25-9-7-20/h2-5,10-11,16H,6-9,12H2,1H3,(H,19,22)/t16-/m0/s1