methyl N'-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamimidothioate

Systemtic Name: methyl N'-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamimidothioate Openeye Name: 3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-isothiourea CAS Name: N'-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamimidothioate Traditional Name: 3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-isothiourea Formula: C13H17N3OS MolecularWeight: 263.35858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2CCN=C(N)SC

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2CCN=C(N)SC

InChI

InChI=1S/C13H17N3OS/c1-17-10-3-4-12-11(7-10)9(8-16-12)5-6-15-13(14)18-2/h3-4,7-8,16H,5-6H2,1-2H3,(H2,14,15)