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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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