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

Systemtic Name: 4-bromanyl-N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]benzamide Openeye Name: 4-bromo-N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(2-thienylmethyl)amino]-2-oxo-ethyl]benzamide CAS Name: 4-bromo-N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide IUPAC Name: 4-bromo-N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide Traditional Name: 4-bromo-N-cyclopropyl-N-[2-[homoveratryl(2-thenyl)amino]-2-keto-ethyl]benzamide Formula: C27H29BrN2O4S MolecularWeight: 557.49916

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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=C(C=C4)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN(CC2=CC=CS2)C(=O)CN(C3CC3)C(=O)C4=CC=C(C=C4)Br)OC

InChI

InChI=1S/C27H29BrN2O4S/c1-33-24-12-5-19(16-25(24)34-2)13-14-29(17-23-4-3-15-35-23)26(31)18-30(22-10-11-22)27(32)20-6-8-21(28)9-7-20/h3-9,12,15-16,22H,10-11,13-14,17-18H2,1-2H3