1-isoquinolin-5-yl-3-(3-methylsulfanylpropyl)thiourea

Systemtic Name: 1-isoquinolin-5-yl-3-(3-methylsulfanylpropyl)thiourea Openeye Name: 1-(5-isoquinolyl)-3-(3-methylsulfanylpropyl)thiourea CAS Name: 1-(5-isoquinolinyl)-3-[3-(methylthio)propyl]thiourea IUPAC Name: 1-isoquinolin-5-yl-3-(3-methylsulfanylpropyl)thiourea Traditional Name: 1-(5-isoquinolyl)-3-[3-(methylthio)propyl]thiourea Formula: C14H17N3S2 MolecularWeight: 291.43488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3S2/c1-19-9-3-7-16-14(18)17-13-5-2-4-11-10-15-8-6-12(11)13/h2,4-6,8,10H,3,7,9H2,1H3,(H2,16,17,18)