1,1-diethyl-3-isoquinolin-1-ylcarbothioyl-3-phenyl-urea

Systemtic Name: 1,1-diethyl-3-isoquinolin-1-ylcarbothioyl-3-phenyl-urea Openeye Name: 1,1-diethyl-3-(isoquinoline-1-carbothioyl)-3-phenyl-urea CAS Name: 1,1-diethyl-3-[1-isoquinolinyl(sulfanylidene)methyl]-3-phenylurea IUPAC Name: 1,1-diethyl-3-(isoquinoline-1-carbothioyl)-3-phenylurea Traditional Name: 1,1-diethyl-3-(isoquinoline-1-carbothioyl)-3-phenyl-urea Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3OS/c1-3-23(4-2)21(25)24(17-11-6-5-7-12-17)20(26)19-18-13-9-8-10-16(18)14-15-22-19/h5-15H,3-4H2,1-2H3