methyl N-(1-isoquinolin-1-ylethylamino)carbamodithioate

Systemtic Name: methyl N-(1-isoquinolin-1-ylethylamino)carbamodithioate Openeye Name: methyl N-[1-(1-isoquinolyl)ethylamino]carbamodithioate CAS Name: N-[1-(1-isoquinolinyl)ethylamino]carbamodithioic acid methyl ester IUPAC Name: methyl N-(1-isoquinolin-1-ylethylamino)carbamodithioate Traditional Name: N-[1-(1-isoquinolyl)ethylamino]carbamodithioic acid methyl ester Formula: C13H15N3S2 MolecularWeight: 277.4083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=CC2=CC=CC=C21)NNC(=S)SC

Isomeric SMILES

CC(C1=NC=CC2=CC=CC=C21)NNC(=S)SC

InChI

InChI=1S/C13H15N3S2/c1-9(15-16-13(17)18-2)12-11-6-4-3-5-10(11)7-8-14-12/h3-9,15H,1-2H3,(H,16,17)