1-(2,4-dimethylphenyl)-3-[(6-methoxy-5-nitro-pyridin-3-yl)carbonylamino]thiourea

Systemtic Name: 1-(2,4-dimethylphenyl)-3-[(6-methoxy-5-nitro-pyridin-3-yl)carbonylamino]thiourea Openeye Name: 1-(2,4-dimethylphenyl)-3-[(6-methoxy-5-nitro-pyridine-3-carbonyl)amino]thiourea CAS Name: 1-(2,4-dimethylphenyl)-3-[[(6-methoxy-5-nitro-3-pyridinyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(2,4-dimethylphenyl)-3-[(6-methoxy-5-nitropyridine-3-carbonyl)amino]thiourea Traditional Name: 1-(2,4-dimethylphenyl)-3-[(6-methoxy-5-nitro-nicotinoyl)amino]thiourea Formula: C16H17N5O4S MolecularWeight: 375.40228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O4S/c1-9-4-5-12(10(2)6-9)18-16(26)20-19-14(22)11-7-13(21(23)24)15(25-3)17-8-11/h4-8H,1-3H3,(H,19,22)(H2,18,20,26)