N-[4-[3-[2-(2-methoxyphenyl)sulfanylethylamino]-2-oxidanyl-propoxy]phenyl]-1H-indole-2-carboxamide

Systemtic Name: N-[4-[3-[2-(2-methoxyphenyl)sulfanylethylamino]-2-oxidanyl-propoxy]phenyl]-1H-indole-2-carboxamide Openeye Name: N-[4-[2-hydroxy-3-[2-(2-methoxyphenyl)sulfanylethylamino]propoxy]phenyl]-1H-indole-2-carboxamide CAS Name: N-[4-[2-hydroxy-3-[2-[(2-methoxyphenyl)thio]ethylamino]propoxy]phenyl]-1H-indole-2-carboxamide IUPAC Name: N-[4-[2-hydroxy-3-[2-(2-methoxyphenyl)sulfanylethylamino]propoxy]phenyl]-1H-indole-2-carboxamide Traditional Name: N-[4-[2-hydroxy-3-[2-[(2-methoxyphenyl)thio]ethylamino]propoxy]phenyl]-1H-indole-2-carboxamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1SCCNCC(COC2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4N3)O

Isomeric SMILES

COC1=CC=CC=C1SCCNCC(COC2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4N3)O

InChI

InChI=1S/C27H29N3O4S/c1-33-25-8-4-5-9-26(25)35-15-14-28-17-21(31)18-34-22-12-10-20(11-13-22)29-27(32)24-16-19-6-2-3-7-23(19)30-24/h2-13,16,21,28,30-31H,14-15,17-18H2,1H3,(H,29,32)