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

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-1-butyl-3-(3-chloranyl-2-methyl-phenyl)thiourea Openeye Name: 1-butyl-3-(3-chloro-2-methyl-phenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]thiourea CAS Name: 1-butyl-3-(3-chloro-2-methylphenyl)-1-[(3S)-1,1-dioxo-3-thiolanyl]thiourea IUPAC Name: 1-butyl-3-(3-chloro-2-methylphenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]thiourea Traditional Name: 1-butyl-3-(3-chloro-2-methyl-phenyl)-1-[(3S)-1,1-diketothiolan-3-yl]thiourea Formula: C16H23ClN2O2S2 MolecularWeight: 374.94902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1CCS(=O)(=O)C1)C(=S)NC2=C(C(=CC=C2)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClN2O2S2/c1-3-4-9-19(13-8-10-23(20,21)11-13)16(22)18-15-7-5-6-14(17)12(15)2/h5-7,13H,3-4,8-11H2,1-2H3,(H,18,22)/t13-/m0/s1