6-[[(2,4-dimethoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide

Systemtic Name: 6-[[(2,4-dimethoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Openeye Name: 6-[[(2,4-dimethoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide CAS Name: 6-[[(2,4-dimethoxyphenyl)methylamino]methyl]-3-(phenylthio)-1H-indole-2-carboxamide IUPAC Name: 6-[[(2,4-dimethoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Traditional Name: 6-[[(2,4-dimethoxybenzyl)amino]methyl]-3-(phenylthio)-1H-indole-2-carboxamide Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNCC2=CC3=C(C=C2)C(=C(N3)C(=O)N)SC4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CNCC2=CC3=C(C=C2)C(=C(N3)C(=O)N)SC4=CC=CC=C4)OC

InChI

InChI=1S/C25H25N3O3S/c1-30-18-10-9-17(22(13-18)31-2)15-27-14-16-8-11-20-21(12-16)28-23(25(26)29)24(20)32-19-6-4-3-5-7-19/h3-13,27-28H,14-15H2,1-2H3,(H2,26,29)