6-[[[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enyl]amino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide

Systemtic Name: 6-[[[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enyl]amino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Openeye Name: 6-[[[(E)-3-(4-hydroxy-3-methoxy-phenyl)allyl]amino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide CAS Name: 6-[[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]amino]methyl]-3-(phenylthio)-1H-indole-2-carboxamide IUPAC Name: 6-[[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]amino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Traditional Name: 6-[[[(E)-3-(4-hydroxy-3-methoxy-phenyl)allyl]amino]methyl]-3-(phenylthio)-1H-indole-2-carboxamide Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CCNCC2=CC3=C(C=C2)C(=C(N3)C(=O)N)SC4=CC=CC=C4)O

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O3S/c1-32-23-15-17(10-12-22(23)30)6-5-13-28-16-18-9-11-20-21(14-18)29-24(26(27)31)25(20)33-19-7-3-2-4-8-19/h2-12,14-15,28-30H,13,16H2,1H3,(H2,27,31)/b6-5+