1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[(2-nitrophenyl)carbamothioylamino]thiourea

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[(2-nitrophenyl)carbamothioylamino]thiourea Openeye Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[(2-nitrophenyl)carbamothioylamino]thiourea CAS Name: 1-[[(2-chloro-4,6-dimethylanilino)-sulfanylidenemethyl]amino]-3-(2-nitrophenyl)thiourea IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[(2-nitrophenyl)carbamothioylamino]thiourea Traditional Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[(2-nitrophenyl)thiocarbamoylamino]thiourea Formula: C16H16ClN5O2S2 MolecularWeight: 409.91354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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