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

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-1-butyl-3-(2-chloranyl-5-nitro-phenyl)thiourea Openeye Name: 1-butyl-3-(2-chloro-5-nitro-phenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]thiourea CAS Name: 1-butyl-3-(2-chloro-5-nitrophenyl)-1-[(3S)-1,1-dioxo-3-thiolanyl]thiourea IUPAC Name: 1-butyl-3-(2-chloro-5-nitrophenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]thiourea Traditional Name: 1-butyl-3-(2-chloro-5-nitro-phenyl)-1-[(3S)-1,1-diketothiolan-3-yl]thiourea Formula: C15H20ClN3O4S2 MolecularWeight: 405.92

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20ClN3O4S2/c1-2-3-7-18(12-6-8-25(22,23)10-12)15(24)17-14-9-11(19(20)21)4-5-13(14)16/h4-5,9,12H,2-3,6-8,10H2,1H3,(H,17,24)/t12-/m0/s1