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

Systemtic Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-3-nitro-N-prop-2-enyl-benzamide Openeye Name: N-allyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(2-thienylmethyl)amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-nitro-N-prop-2-enylbenzamide IUPAC Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-nitro-N-prop-2-enylbenzamide Traditional Name: N-allyl-N-[2-[homoveratryl(2-thenyl)amino]-2-keto-ethyl]-3-nitro-benzamide Formula: C27H29N3O6S MolecularWeight: 523.60066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN(CC2=CC=CS2)C(=O)CN(CC=C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN(CC2=CC=CS2)C(=O)CN(CC=C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C27H29N3O6S/c1-4-13-29(27(32)21-7-5-8-22(17-21)30(33)34)19-26(31)28(18-23-9-6-15-37-23)14-12-20-10-11-24(35-2)25(16-20)36-3/h4-11,15-17H,1,12-14,18-19H2,2-3H3