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

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

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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(=CC=C3)[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(=CC=C3)[N+](=O)[O-]

InChI

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