1-(3-chloranyl-2-methyl-phenyl)-3-[(4-nitrophenyl)carbamothioylamino]thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[(4-nitrophenyl)carbamothioylamino]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[(4-nitrophenyl)carbamothioylamino]thiourea CAS Name: 1-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]amino]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[(4-nitrophenyl)carbamothioylamino]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[(4-nitrophenyl)thiocarbamoylamino]thiourea Formula: C15H14ClN5O2S2 MolecularWeight: 395.88696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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