[1-(2-methylpropyl)indol-3-yl] carbamimidothioate

Systemtic Name: [1-(2-methylpropyl)indol-3-yl] carbamimidothioate Openeye Name: 2-(1-isobutylindol-3-yl)isothiourea CAS Name: carbamimidothioic acid [1-(2-methylpropyl)-3-indolyl] ester IUPAC Name: [1-(2-methylpropyl)indol-3-yl] carbamimidothioate Traditional Name: 2-(1-isobutylindol-3-yl)isothiourea Formula: C13H17N3S MolecularWeight: 247.35918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C2=CC=CC=C21)SC(=N)N

Isomeric SMILES

CC(C)CN1C=C(C2=CC=CC=C21)SC(=N)N

InChI

InChI=1S/C13H17N3S/c1-9(2)7-16-8-12(17-13(14)15)10-5-3-4-6-11(10)16/h3-6,8-9H,7H2,1-2H3,(H3,14,15)