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

Systemtic Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-4-methyl-3-nitro-N-prop-2-enyl-benzamide Openeye Name: N-allyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(2-thienylmethyl)amino]-2-oxo-ethyl]-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-prop-2-enylbenzamide IUPAC Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-3-nitro-N-prop-2-enylbenzamide Traditional Name: N-allyl-N-[2-[homoveratryl(2-thenyl)amino]-2-keto-ethyl]-4-methyl-3-nitro-benzamide Formula: C28H31N3O6S MolecularWeight: 537.62724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31N3O6S/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/h5-11,15-17H,1,12-14,18-19H2,2-4H3