3-[[(E)-1-isoquinolin-1-ylethylideneamino]carbamothioylamino]-1-methyl-1-phenyl-thiourea

Systemtic Name: 3-[[(E)-1-isoquinolin-1-ylethylideneamino]carbamothioylamino]-1-methyl-1-phenyl-thiourea Openeye Name: 3-[[(E)-1-(1-isoquinolyl)ethylideneamino]carbamothioylamino]-1-methyl-1-phenyl-thiourea CAS Name: 3-[[[(2E)-2-[1-(1-isoquinolinyl)ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]-1-methyl-1-phenylthiourea IUPAC Name: 3-[[(E)-1-isoquinolin-1-ylethylideneamino]carbamothioylamino]-1-methyl-1-phenylthiourea Traditional Name: 3-[[(E)-1-(1-isoquinolyl)ethylideneamino]thiocarbamoylamino]-1-methyl-1-phenyl-thiourea Formula: C20H20N6S2 MolecularWeight: 408.543

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NNC(=S)N(C)C1=CC=CC=C1)C2=NC=CC3=CC=CC=C32

Isomeric SMILES

C/C(=N\NC(=S)NNC(=S)N(C)C1=CC=CC=C1)/C2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C20H20N6S2/c1-14(18-17-11-7-6-8-15(17)12-13-21-18)22-23-19(27)24-25-20(28)26(2)16-9-4-3-5-10-16/h3-13H,1-2H3,(H,25,28)(H2,23,24,27)/b22-14+