6-[[(3-bromanyl-4,5-dimethoxy-phenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide

Systemtic Name: 6-[[(3-bromanyl-4,5-dimethoxy-phenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Openeye Name: 6-[[(3-bromo-4,5-dimethoxy-phenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide CAS Name: 6-[[(3-bromo-4,5-dimethoxyphenyl)methylamino]methyl]-3-(phenylthio)-1H-indole-2-carboxamide IUPAC Name: 6-[[(3-bromo-4,5-dimethoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Traditional Name: 6-[[(3-bromo-4,5-dimethoxy-benzyl)amino]methyl]-3-(phenylthio)-1H-indole-2-carboxamide Formula: C25H24BrN3O3S MolecularWeight: 526.44536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24BrN3O3S/c1-31-21-12-16(10-19(26)23(21)32-2)14-28-13-15-8-9-18-20(11-15)29-22(25(27)30)24(18)33-17-6-4-3-5-7-17/h3-12,28-29H,13-14H2,1-2H3,(H2,27,30)