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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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