methyl 4-[[(2-aminocarbonyl-3-phenylsulfanyl-1H-indol-6-yl)methylamino]methyl]benzoate

Systemtic Name: methyl 4-[[(2-aminocarbonyl-3-phenylsulfanyl-1H-indol-6-yl)methylamino]methyl]benzoate Openeye Name: methyl 4-[[(2-carbamoyl-3-phenylsulfanyl-1H-indol-6-yl)methylamino]methyl]benzoate CAS Name: 4-[[[2-carbamoyl-3-(phenylthio)-1H-indol-6-yl]methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2-carbamoyl-3-phenylsulfanyl-1H-indol-6-yl)methylamino]methyl]benzoate Traditional Name: 4-[[[2-carbamoyl-3-(phenylthio)-1H-indol-6-yl]methylamino]methyl]benzoic acid methyl ester Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O3S/c1-31-25(30)18-10-7-16(8-11-18)14-27-15-17-9-12-20-21(13-17)28-22(24(26)29)23(20)32-19-5-3-2-4-6-19/h2-13,27-28H,14-15H2,1H3,(H2,26,29)