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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(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

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