1-azanyl-3-[[cyano-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]sulfanylmethylamino]urea

Systemtic Name: 1-azanyl-3-[[cyano-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]sulfanylmethylamino]urea Openeye Name: 1-amino-3-[[cyano-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]sulfanylmethylamino]urea CAS Name: 1-amino-3-[[[cyano-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]thio]methylamino]urea IUPAC Name: 1-amino-3-[[cyano-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]sulfanylmethylamino]urea Traditional Name: 1-amino-3-[[[cyano-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]thio]methylamino]urea Formula: C15H20N6O3S MolecularWeight: 364.4227

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN=C2C(C#N)SCNNC(=O)NN)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN=C2C(C#N)SCNNC(=O)NN)OC

InChI

InChI=1S/C15H20N6O3S/c1-23-11-5-9-3-4-18-14(10(9)6-12(11)24-2)13(7-16)25-8-19-21-15(22)20-17/h5-6,13,19H,3-4,8,17H2,1-2H3,(H2,20,21,22)