N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-4-methyl-N-(2-methylpropyl)-3-nitro-benzamide

Systemtic Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-4-methyl-N-(2-methylpropyl)-3-nitro-benzamide Openeye Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-N-isobutyl-4-methyl-3-nitro-benzamide CAS Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(3-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)-3-nitrobenzamide IUPAC Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)-3-nitrobenzamide Traditional Name: N-[2-[homoveratryl-[(3-methyl-2-thienyl)methyl]amino]-2-keto-ethyl]-N-isobutyl-4-methyl-3-nitro-benzamide Formula: C30H37N3O6S MolecularWeight: 567.69628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CC(C)C)CC(=O)N(CCC2=CC(=C(C=C2)OC)OC)CC3=C(C=CS3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CC(C)C)CC(=O)N(CCC2=CC(=C(C=C2)OC)OC)CC3=C(C=CS3)C)[N+](=O)[O-]

InChI

InChI=1S/C30H37N3O6S/c1-20(2)17-32(30(35)24-9-7-21(3)25(16-24)33(36)37)19-29(34)31(18-28-22(4)12-14-40-28)13-11-23-8-10-26(38-5)27(15-23)39-6/h7-10,12,14-16,20H,11,13,17-19H2,1-6H3