1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-1-ethyl-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-1-ethyl-3-(4-nitrophenyl)thiourea Openeye Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-1-ethyl-3-(4-nitrophenyl)thiourea CAS Name: 1-[(3S)-1,1-dioxo-3-thiolanyl]-1-ethyl-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-1-ethyl-3-(4-nitrophenyl)thiourea Traditional Name: 1-[(3S)-1,1-diketothiolan-3-yl]-1-ethyl-3-(4-nitrophenyl)thiourea Formula: C13H17N3O4S2 MolecularWeight: 343.42178

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCS(=O)(=O)C1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCN([C@H]1CCS(=O)(=O)C1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O4S2/c1-2-15(12-7-8-22(19,20)9-12)13(21)14-10-3-5-11(6-4-10)16(17)18/h3-6,12H,2,7-9H2,1H3,(H,14,21)/t12-/m0/s1