1-(3-nitrophenyl)-3-[2-(phenylmethylsulfanyl)ethanoylamino]thiourea

Systemtic Name: 1-(3-nitrophenyl)-3-[2-(phenylmethylsulfanyl)ethanoylamino]thiourea Openeye Name: 1-[(2-benzylsulfanylacetyl)amino]-3-(3-nitrophenyl)thiourea CAS Name: 1-(3-nitrophenyl)-3-[[1-oxo-2-(phenylmethylthio)ethyl]amino]thiourea IUPAC Name: 1-[(2-benzylsulfanylacetyl)amino]-3-(3-nitrophenyl)thiourea Traditional Name: 1-[[2-(benzylthio)acetyl]amino]-3-(3-nitrophenyl)thiourea Formula: C16H16N4O3S2 MolecularWeight: 376.45324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O3S2/c21-15(11-25-10-12-5-2-1-3-6-12)18-19-16(24)17-13-7-4-8-14(9-13)20(22)23/h1-9H,10-11H2,(H,18,21)(H2,17,19,24)