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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(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

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