1-(2-chloranyl-5-nitro-phenyl)-3-[(2-methylphenyl)carbamothioylamino]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[(2-methylphenyl)carbamothioylamino]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-(o-tolylcarbamothioylamino)thiourea CAS Name: 1-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]-3-(2-methylphenyl)thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[(2-methylphenyl)carbamothioylamino]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-(o-tolylthiocarbamoylamino)thiourea Formula: C15H14ClN5O2S2 MolecularWeight: 395.88696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H14ClN5O2S2/c1-9-4-2-3-5-12(9)17-14(24)19-20-15(25)18-13-8-10(21(22)23)6-7-11(13)16/h2-8H,1H3,(H2,17,19,24)(H2,18,20,25)