1-(2-nitrophenyl)-3-(2-phenylsulfanylethylcarbamothioylamino)thiourea

Systemtic Name: 1-(2-nitrophenyl)-3-(2-phenylsulfanylethylcarbamothioylamino)thiourea Openeye Name: 1-(2-nitrophenyl)-3-(2-phenylsulfanylethylcarbamothioylamino)thiourea CAS Name: 1-[[(2-nitroanilino)-sulfanylidenemethyl]amino]-3-[2-(phenylthio)ethyl]thiourea IUPAC Name: 1-(2-nitrophenyl)-3-(2-phenylsulfanylethylcarbamothioylamino)thiourea Traditional Name: 1-(2-nitrophenyl)-3-[2-(phenylthio)ethylthiocarbamoylamino]thiourea Formula: C16H17N5O2S3 MolecularWeight: 407.53348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O2S3/c22-21(23)14-9-5-4-8-13(14)18-16(25)20-19-15(24)17-10-11-26-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,17,19,24)(H2,18,20,25)