1-(3-methylbutyl)-3-[(2-thiophen-2-ylquinolin-4-yl)carbonylamino]thiourea

Systemtic Name: 1-(3-methylbutyl)-3-[(2-thiophen-2-ylquinolin-4-yl)carbonylamino]thiourea Openeye Name: 1-isopentyl-3-[[2-(2-thienyl)quinoline-4-carbonyl]amino]thiourea CAS Name: 1-(3-methylbutyl)-3-[[oxo-(2-thiophen-2-yl-4-quinolinyl)methyl]amino]thiourea IUPAC Name: 1-(3-methylbutyl)-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]thiourea Traditional Name: 1-isoamyl-3-[[2-(2-thienyl)quinoline-4-carbonyl]amino]thiourea Formula: C20H22N4OS2 MolecularWeight: 398.54488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3

Isomeric SMILES

CC(C)CCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3

InChI

InChI=1S/C20H22N4OS2/c1-13(2)9-10-21-20(26)24-23-19(25)15-12-17(18-8-5-11-27-18)22-16-7-4-3-6-14(15)16/h3-8,11-13H,9-10H2,1-2H3,(H,23,25)(H2,21,24,26)