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

Systemtic Name: N-butyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-4-nitro-benzamide Openeye Name: N-butyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(2-thienylmethyl)amino]-2-oxo-ethyl]-4-nitro-benzamide CAS Name: N-butyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-nitrobenzamide IUPAC Name: N-butyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-nitrobenzamide Traditional Name: N-butyl-N-[2-[homoveratryl(2-thenyl)amino]-2-keto-ethyl]-4-nitro-benzamide Formula: C28H33N3O6S MolecularWeight: 539.64312

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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)[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)[N+](=O)[O-]

InChI

InChI=1S/C28H33N3O6S/c1-4-5-15-30(28(33)22-9-11-23(12-10-22)31(34)35)20-27(32)29(19-24-7-6-17-38-24)16-14-21-8-13-25(36-2)26(18-21)37-3/h6-13,17-18H,4-5,14-16,19-20H2,1-3H3