[1-[(4-fluorophenyl)methyl]-2-methyl-indol-3-yl] carbamimidothioate

Systemtic Name: [1-[(4-fluorophenyl)methyl]-2-methyl-indol-3-yl] carbamimidothioate Openeye Name: 2-[1-[(4-fluorophenyl)methyl]-2-methyl-indol-3-yl]isothiourea CAS Name: carbamimidothioic acid [1-[(4-fluorophenyl)methyl]-2-methyl-3-indolyl] ester IUPAC Name: [1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl] carbamimidothioate Traditional Name: 2-[1-(4-fluorobenzyl)-2-methyl-indol-3-yl]isothiourea Formula: C17H16FN3S MolecularWeight: 313.392443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CC3=CC=C(C=C3)F)SC(=N)N

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CC3=CC=C(C=C3)F)SC(=N)N

InChI

InChI=1S/C17H16FN3S/c1-11-16(22-17(19)20)14-4-2-3-5-15(14)21(11)10-12-6-8-13(18)9-7-12/h2-9H,10H2,1H3,(H3,19,20)