1-pentyl-3-(quinolin-2-ylcarbonylamino)thiourea

Systemtic Name: 1-pentyl-3-(quinolin-2-ylcarbonylamino)thiourea Openeye Name: 1-pentyl-3-(quinoline-2-carbonylamino)thiourea CAS Name: 1-[[oxo(2-quinolinyl)methyl]amino]-3-pentylthiourea IUPAC Name: 1-pentyl-3-(quinoline-2-carbonylamino)thiourea Traditional Name: 1-amyl-3-(quinaldoylamino)thiourea Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)C1=NC2=CC=CC=C2C=C1

Isomeric SMILES

CCCCCNC(=S)NNC(=O)C1=NC2=CC=CC=C2C=C1

InChI

InChI=1S/C16H20N4OS/c1-2-3-6-11-17-16(22)20-19-15(21)14-10-9-12-7-4-5-8-13(12)18-14/h4-5,7-10H,2-3,6,11H2,1H3,(H,19,21)(H2,17,20,22)