1-[(3-nitrophenyl)carbonylamino]-3-(2-phenylsulfanylethyl)thiourea

Systemtic Name: 1-[(3-nitrophenyl)carbonylamino]-3-(2-phenylsulfanylethyl)thiourea Openeye Name: 1-[(3-nitrobenzoyl)amino]-3-(2-phenylsulfanylethyl)thiourea CAS Name: 1-[[(3-nitrophenyl)-oxomethyl]amino]-3-[2-(phenylthio)ethyl]thiourea IUPAC Name: 1-[(3-nitrobenzoyl)amino]-3-(2-phenylsulfanylethyl)thiourea Traditional Name: 1-[(3-nitrobenzoyl)amino]-3-[2-(phenylthio)ethyl]thiourea Formula: C16H16N4O3S2 MolecularWeight: 376.45324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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