1-butyl-3-isoquinolin-5-yl-thiourea

Systemtic Name: 1-butyl-3-isoquinolin-5-yl-thiourea Openeye Name: 1-butyl-3-(5-isoquinolyl)thiourea CAS Name: 1-butyl-3-(5-isoquinolinyl)thiourea IUPAC Name: 1-butyl-3-isoquinolin-5-ylthiourea Traditional Name: 1-butyl-3-(5-isoquinolyl)thiourea Formula: C14H17N3S MolecularWeight: 259.36988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=CC=CC2=C1C=CN=C2

Isomeric SMILES

CCCCNC(=S)NC1=CC=CC2=C1C=CN=C2

InChI

InChI=1S/C14H17N3S/c1-2-3-8-16-14(18)17-13-6-4-5-11-10-15-9-7-12(11)13/h4-7,9-10H,2-3,8H2,1H3,(H2,16,17,18)