[1-[(2S)-butan-2-yl]indol-3-yl] carbamimidothioate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=C(C2=CC=CC=C21)SC(=N)N

Isomeric SMILES

CC[C@H](C)N1C=C(C2=CC=CC=C21)SC(=N)N

InChI

InChI=1S/C13H17N3S/c1-3-9(2)16-8-12(17-13(14)15)10-6-4-5-7-11(10)16/h4-9H,3H2,1-2H3,(H3,14,15)/t9-/m0/s1