1-(2-chloranyl-5-nitro-phenyl)-3-[(4,8-dimethylquinolin-2-yl)amino]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[(4,8-dimethylquinolin-2-yl)amino]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[(4,8-dimethyl-2-quinolyl)amino]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[(4,8-dimethyl-2-quinolinyl)amino]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[(4,8-dimethylquinolin-2-yl)amino]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[(4,8-dimethyl-2-quinolyl)amino]thiourea Formula: C18H16ClN5O2S MolecularWeight: 401.86994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)NNC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)NNC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H16ClN5O2S/c1-10-4-3-5-13-11(2)8-16(21-17(10)13)22-23-18(27)20-15-9-12(24(25)26)6-7-14(15)19/h3-9H,1-2H3,(H,21,22)(H2,20,23,27)