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

Systemtic Name: 1-(4-nitrophenyl)-3-[(2-thiophen-2-ylquinolin-4-yl)carbonylamino]thiourea Openeye Name: 1-(4-nitrophenyl)-3-[[2-(2-thienyl)quinoline-4-carbonyl]amino]thiourea CAS Name: 1-(4-nitrophenyl)-3-[[oxo-(2-thiophen-2-yl-4-quinolinyl)methyl]amino]thiourea IUPAC Name: 1-(4-nitrophenyl)-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]thiourea Traditional Name: 1-(4-nitrophenyl)-3-[[2-(2-thienyl)quinoline-4-carbonyl]amino]thiourea Formula: C21H15N5O3S2 MolecularWeight: 449.5055

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NNC(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NNC(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N5O3S2/c27-20(24-25-21(30)22-13-7-9-14(10-8-13)26(28)29)16-12-18(19-6-3-11-31-19)23-17-5-2-1-4-15(16)17/h1-12H,(H,24,27)(H2,22,25,30)