1-(3,4-dimethylphenyl)-3-[(2-methyl-5-nitro-pyridin-3-yl)carbonylamino]thiourea

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[(2-methyl-5-nitro-pyridin-3-yl)carbonylamino]thiourea Openeye Name: 1-(3,4-dimethylphenyl)-3-[(2-methyl-5-nitro-pyridine-3-carbonyl)amino]thiourea CAS Name: 1-(3,4-dimethylphenyl)-3-[[(2-methyl-5-nitro-3-pyridinyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(3,4-dimethylphenyl)-3-[(2-methyl-5-nitropyridine-3-carbonyl)amino]thiourea Traditional Name: 1-(3,4-dimethylphenyl)-3-[(2-methyl-5-nitro-nicotinoyl)amino]thiourea Formula: C16H17N5O3S MolecularWeight: 359.40288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=CC(=CN=C2C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=CC(=CN=C2C)[N+](=O)[O-])C

InChI

InChI=1S/C16H17N5O3S/c1-9-4-5-12(6-10(9)2)18-16(25)20-19-15(22)14-7-13(21(23)24)8-17-11(14)3/h4-8H,1-3H3,(H,19,22)(H2,18,20,25)