1-(3,4-dimethylphenyl)-3-[(2-nitrophenyl)carbamothioylamino]thiourea

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[(2-nitrophenyl)carbamothioylamino]thiourea Openeye Name: 1-(3,4-dimethylphenyl)-3-[(2-nitrophenyl)carbamothioylamino]thiourea CAS Name: 1-[[(3,4-dimethylanilino)-sulfanylidenemethyl]amino]-3-(2-nitrophenyl)thiourea IUPAC Name: 1-(3,4-dimethylphenyl)-3-[(2-nitrophenyl)carbamothioylamino]thiourea Traditional Name: 1-(3,4-dimethylphenyl)-3-[(2-nitrophenyl)thiocarbamoylamino]thiourea Formula: C16H17N5O2S2 MolecularWeight: 375.46848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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