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

Systemtic Name: N-butyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-butyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(2-thienylmethyl)amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-butyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-butyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-butyl-N-[2-[homoveratryl(2-thenyl)amino]-2-keto-ethyl]-3-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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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