N-[(5-methylthiophen-2-yl)methyl]-4-morpholin-4-yl-3-nitro-N-phenethyl-benzamide

Systemtic Name: N-[(5-methylthiophen-2-yl)methyl]-4-morpholin-4-yl-3-nitro-N-phenethyl-benzamide Openeye Name: N-[(5-methyl-2-thienyl)methyl]-4-morpholino-3-nitro-N-phenethyl-benzamide CAS Name: N-[(5-methyl-2-thiophenyl)methyl]-4-(4-morpholinyl)-3-nitro-N-phenethylbenzamide IUPAC Name: N-[(5-methylthiophen-2-yl)methyl]-4-morpholin-4-yl-3-nitro-N-phenethylbenzamide Traditional Name: N-[(5-methyl-2-thienyl)methyl]-4-morpholino-3-nitro-N-phenethyl-benzamide Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C25H27N3O4S/c1-19-7-9-22(33-19)18-27(12-11-20-5-3-2-4-6-20)25(29)21-8-10-23(24(17-21)28(30)31)26-13-15-32-16-14-26/h2-10,17H,11-16,18H2,1H3