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

Systemtic Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-4-nitro-N-propyl-benzamide Openeye Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(2-thienylmethyl)amino]-2-oxo-ethyl]-4-nitro-N-propyl-benzamide CAS Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-nitro-N-propylbenzamide IUPAC Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-nitro-N-propylbenzamide Traditional Name: N-[2-[homoveratryl(2-thenyl)amino]-2-keto-ethyl]-4-nitro-N-propyl-benzamide Formula: C27H31N3O6S MolecularWeight: 525.61654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)N(CCC1=CC(=C(C=C1)OC)OC)CC2=CC=CS2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCN(CC(=O)N(CCC1=CC(=C(C=C1)OC)OC)CC2=CC=CS2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H31N3O6S/c1-4-14-29(27(32)21-8-10-22(11-9-21)30(33)34)19-26(31)28(18-23-6-5-16-37-23)15-13-20-7-12-24(35-2)25(17-20)36-3/h5-12,16-17H,4,13-15,18-19H2,1-3H3