N'-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamimidothioate

Systemtic Name: N'-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamimidothioate Openeye Name: N'-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamimidothioate CAS Name: N'-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamimidothioate IUPAC Name: N'-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamimidothioate Traditional Name: N'-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamimidothioate Formula: C18H20N3S- MolecularWeight: 310.4365

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CCC3=CC=C(C=C3)N=C(N)[S-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CCC3=CC=C(C=C3)N=C(N)[S-]

InChI

InChI=1S/C18H21N3S/c19-18(22)20-17-7-5-14(6-8-17)9-11-21-12-10-15-3-1-2-4-16(15)13-21/h1-8H,9-13H2,(H3,19,20,22)/p-1