1-isoquinolin-5-yl-3-prop-2-enyl-thiourea

Systemtic Name: 1-isoquinolin-5-yl-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-(5-isoquinolyl)thiourea CAS Name: 1-(5-isoquinolinyl)-3-prop-2-enylthiourea IUPAC Name: 1-isoquinolin-5-yl-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-(5-isoquinolyl)thiourea Formula: C13H13N3S MolecularWeight: 243.32742

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NC1=CC=CC2=C1C=CN=C2

Isomeric SMILES

C=CCNC(=S)NC1=CC=CC2=C1C=CN=C2

InChI

InChI=1S/C13H13N3S/c1-2-7-15-13(17)16-12-5-3-4-10-9-14-8-6-11(10)12/h2-6,8-9H,1,7H2,(H2,15,16,17)