ethyl N'-[3-[azanyl(2,3-dihydro-1H-inden-2-yl)methyl]phenyl]carbamimidothioate

Systemtic Name: ethyl N'-[3-[azanyl(2,3-dihydro-1H-inden-2-yl)methyl]phenyl]carbamimidothioate Openeye Name: 3-[3-[amino(indan-2-yl)methyl]phenyl]-2-ethyl-isothiourea CAS Name: N'-[3-[amino(2,3-dihydro-1H-inden-2-yl)methyl]phenyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-[3-[amino(2,3-dihydro-1H-inden-2-yl)methyl]phenyl]carbamimidothioate Traditional Name: 3-[3-[amino(indan-2-yl)methyl]phenyl]-2-ethyl-isothiourea Formula: C19H23N3S MolecularWeight: 325.47102

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC1=CC=CC(=C1)C(C2CC3=CC=CC=C3C2)N)N

Isomeric SMILES

CCSC(=NC1=CC=CC(=C1)C(C2CC3=CC=CC=C3C2)N)N

InChI

InChI=1S/C19H23N3S/c1-2-23-19(21)22-17-9-5-8-15(12-17)18(20)16-10-13-6-3-4-7-14(13)11-16/h3-9,12,16,18H,2,10-11,20H2,1H3,(H2,21,22)