1-(3-methylsulfanylpropyl)-3-[(2-phenylquinolin-4-yl)carbonylamino]thiourea

Systemtic Name: 1-(3-methylsulfanylpropyl)-3-[(2-phenylquinolin-4-yl)carbonylamino]thiourea Openeye Name: 1-(3-methylsulfanylpropyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea CAS Name: 1-[3-(methylthio)propyl]-3-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]thiourea IUPAC Name: 1-(3-methylsulfanylpropyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea Traditional Name: 1-[3-(methylthio)propyl]-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea Formula: C21H22N4OS2 MolecularWeight: 410.55558

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CSCCCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4OS2/c1-28-13-7-12-22-21(27)25-24-20(26)17-14-19(15-8-3-2-4-9-15)23-18-11-6-5-10-16(17)18/h2-6,8-11,14H,7,12-13H2,1H3,(H,24,26)(H2,22,25,27)