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

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3-(2-chloranyl-5-nitro-phenyl)-1-propyl-thiourea Openeye Name: 3-(2-chloro-5-nitro-phenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-1-propyl-thiourea CAS Name: 3-(2-chloro-5-nitrophenyl)-1-[(3S)-1,1-dioxo-3-thiolanyl]-1-propylthiourea IUPAC Name: 3-(2-chloro-5-nitrophenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-1-propylthiourea Traditional Name: 3-(2-chloro-5-nitro-phenyl)-1-[(3S)-1,1-diketothiolan-3-yl]-1-propyl-thiourea Formula: C14H18ClN3O4S2 MolecularWeight: 391.89342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClN3O4S2/c1-2-6-17(11-5-7-24(21,22)9-11)14(23)16-13-8-10(18(19)20)3-4-12(13)15/h3-4,8,11H,2,5-7,9H2,1H3,(H,16,23)/t11-/m0/s1