N-butyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-butyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-butyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(2-thienylmethyl)amino]-2-oxo-ethyl]-4-methyl-3-nitro-benzamide CAS Name: N-butyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-butyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-butyl-N-[2-[homoveratryl(2-thenyl)amino]-2-keto-ethyl]-4-methyl-3-nitro-benzamide Formula: C29H35N3O6S MolecularWeight: 553.6697

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)N(CCC1=CC(=C(C=C1)OC)OC)CC2=CC=CS2)C(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CC(=O)N(CCC1=CC(=C(C=C1)OC)OC)CC2=CC=CS2)C(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C29H35N3O6S/c1-5-6-14-31(29(34)23-11-9-21(2)25(18-23)32(35)36)20-28(33)30(19-24-8-7-16-39-24)15-13-22-10-12-26(37-3)27(17-22)38-4/h7-12,16-18H,5-6,13-15,19-20H2,1-4H3