1-(2,2-diethoxyethyl)-3-isoquinolin-1-yl-thiourea

Systemtic Name: 1-(2,2-diethoxyethyl)-3-isoquinolin-1-yl-thiourea Openeye Name: 1-(2,2-diethoxyethyl)-3-(1-isoquinolyl)thiourea CAS Name: 1-(2,2-diethoxyethyl)-3-(1-isoquinolinyl)thiourea IUPAC Name: 1-(2,2-diethoxyethyl)-3-isoquinolin-1-ylthiourea Traditional Name: 1-(2,2-diethoxyethyl)-3-(1-isoquinolyl)thiourea Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CNC(=S)NC1=NC=CC2=CC=CC=C21)OCC

Isomeric SMILES

CCOC(CNC(=S)NC1=NC=CC2=CC=CC=C21)OCC

InChI

InChI=1S/C16H21N3O2S/c1-3-20-14(21-4-2)11-18-16(22)19-15-13-8-6-5-7-12(13)9-10-17-15/h5-10,14H,3-4,11H2,1-2H3,(H2,17,18,19,22)