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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NNC(=S)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NNC(=S)NC2=CC=CC=C2[N+](=O)[O-]

InChI

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