1-(2-chloranyl-5-nitro-phenyl)-3-[(3R)-3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[(3R)-3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[(3R)-3-methyl-1,1-dioxo-3-thiolanyl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[(3R)-1,1-diketo-3-methyl-thiolan-3-yl]thiourea Formula: C12H14ClN3O4S2 MolecularWeight: 363.84026

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCS(=O)(=O)C1)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClN3O4S2/c1-12(4-5-22(19,20)7-12)15-11(21)14-10-6-8(16(17)18)2-3-9(10)13/h2-3,6H,4-5,7H2,1H3,(H2,14,15,21)/t12-/m1/s1