2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[1-[(3,5-dimethoxyphenyl)methyl]-3-indolyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[1-(3,5-dimethoxybenzyl)indol-3-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C26H22N4O5S MolecularWeight: 502.54168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2C=C(C3=CC=CC=C32)CC(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2C=C(C3=CC=CC=C32)CC(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-])OC

InChI

InChI=1S/C26H22N4O5S/c1-34-19-9-16(10-20(13-19)35-2)14-29-15-17(21-5-3-4-6-23(21)29)11-25(31)28-26-27-22-8-7-18(30(32)33)12-24(22)36-26/h3-10,12-13,15H,11,14H2,1-2H3,(H,27,28,31)