1-(2,5-dimethylphenyl)-3-[(2-nitrophenyl)carbamothioylamino]thiourea

Systemtic Name: 1-(2,5-dimethylphenyl)-3-[(2-nitrophenyl)carbamothioylamino]thiourea Openeye Name: 1-(2,5-dimethylphenyl)-3-[(2-nitrophenyl)carbamothioylamino]thiourea CAS Name: 1-[[(2,5-dimethylanilino)-sulfanylidenemethyl]amino]-3-(2-nitrophenyl)thiourea IUPAC Name: 1-(2,5-dimethylphenyl)-3-[(2-nitrophenyl)carbamothioylamino]thiourea Traditional Name: 1-(2,5-dimethylphenyl)-3-[(2-nitrophenyl)thiocarbamoylamino]thiourea Formula: C16H17N5O2S2 MolecularWeight: 375.46848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O2S2/c1-10-7-8-11(2)13(9-10)18-16(25)20-19-15(24)17-12-5-3-4-6-14(12)21(22)23/h3-9H,1-2H3,(H2,17,19,24)(H2,18,20,25)