ethyl N'-[3-(2-azanyl-1,3-dihydroinden-2-yl)phenyl]carbamimidothioate

Systemtic Name: ethyl N'-[3-(2-azanyl-1,3-dihydroinden-2-yl)phenyl]carbamimidothioate Openeye Name: 3-[3-(2-aminoindan-2-yl)phenyl]-2-ethyl-isothiourea CAS Name: N'-[3-(2-amino-1,3-dihydroinden-2-yl)phenyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-[3-(2-amino-1,3-dihydroinden-2-yl)phenyl]carbamimidothioate Traditional Name: 3-[3-(2-aminoindan-2-yl)phenyl]-2-ethyl-isothiourea Formula: C18H21N3S MolecularWeight: 311.44444

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC1=CC=CC(=C1)C2(CC3=CC=CC=C3C2)N)N

Isomeric SMILES

CCSC(=NC1=CC=CC(=C1)C2(CC3=CC=CC=C3C2)N)N

InChI

InChI=1S/C18H21N3S/c1-2-22-17(19)21-16-9-5-8-15(10-16)18(20)11-13-6-3-4-7-14(13)12-18/h3-10H,2,11-12,20H2,1H3,(H2,19,21)