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

Systemtic Name: N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(2-thienylmethyl)amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-cyclopropyl-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(C3CC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN(CC2=CC=CS2)C(=O)CN(C3CC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C27H29N3O6S/c1-35-24-11-8-19(15-25(24)36-2)12-13-28(17-23-7-4-14-37-23)26(31)18-29(21-9-10-21)27(32)20-5-3-6-22(16-20)30(33)34/h3-8,11,14-16,21H,9-10,12-13,17-18H2,1-2H3