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

Systemtic Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-(2-methylpropyl)-4-nitro-benzamide Openeye Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-N-isobutyl-4-nitro-benzamide CAS Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(3-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)-4-nitrobenzamide IUPAC Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)-4-nitrobenzamide Traditional Name: N-[2-[homoveratryl-[(3-methyl-2-thienyl)methyl]amino]-2-keto-ethyl]-N-isobutyl-4-nitro-benzamide Formula: C29H35N3O6S MolecularWeight: 553.6697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(CCC2=CC(=C(C=C2)OC)OC)C(=O)CN(CC(C)C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC=C1)CN(CCC2=CC(=C(C=C2)OC)OC)C(=O)CN(CC(C)C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C29H35N3O6S/c1-20(2)17-31(29(34)23-7-9-24(10-8-23)32(35)36)19-28(33)30(18-27-21(3)13-15-39-27)14-12-22-6-11-25(37-4)26(16-22)38-5/h6-11,13,15-16,20H,12,14,17-19H2,1-5H3