1-(2-chloranyl-5-nitro-phenyl)-3-[(3,4-dimethylphenyl)carbamothioylamino]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[(3,4-dimethylphenyl)carbamothioylamino]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[(3,4-dimethylphenyl)carbamothioylamino]thiourea CAS Name: 1-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]-3-(3,4-dimethylphenyl)thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[(3,4-dimethylphenyl)carbamothioylamino]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[(3,4-dimethylphenyl)thiocarbamoylamino]thiourea Formula: C16H16ClN5O2S2 MolecularWeight: 409.91354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C16H16ClN5O2S2/c1-9-3-4-11(7-10(9)2)18-15(25)20-21-16(26)19-14-8-12(22(23)24)5-6-13(14)17/h3-8H,1-2H3,(H2,18,20,25)(H2,19,21,26)