1-(1-isoquinolin-3-ylethylamino)-1-(phenylmethyl)thiourea

Systemtic Name: 1-(1-isoquinolin-3-ylethylamino)-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-[1-(3-isoquinolyl)ethylamino]thiourea CAS Name: 1-[1-(3-isoquinolinyl)ethylamino]-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-(1-isoquinolin-3-ylethylamino)thiourea Traditional Name: 1-benzyl-1-[1-(3-isoquinolyl)ethylamino]thiourea Formula: C19H20N4S MolecularWeight: 336.4539

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2C=N1)NN(CC3=CC=CC=C3)C(=S)N

Isomeric SMILES

CC(C1=CC2=CC=CC=C2C=N1)NN(CC3=CC=CC=C3)C(=S)N

InChI

InChI=1S/C19H20N4S/c1-14(18-11-16-9-5-6-10-17(16)12-21-18)22-23(19(20)24)13-15-7-3-2-4-8-15/h2-12,14,22H,13H2,1H3,(H2,20,24)