1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-1-butyl-3-(3-chloranyl-4-methyl-phenyl)thiourea

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-1-butyl-3-(3-chloranyl-4-methyl-phenyl)thiourea Openeye Name: 1-butyl-3-(3-chloro-4-methyl-phenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]thiourea CAS Name: 1-butyl-3-(3-chloro-4-methylphenyl)-1-[(3S)-1,1-dioxo-3-thiolanyl]thiourea IUPAC Name: 1-butyl-3-(3-chloro-4-methylphenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]thiourea Traditional Name: 1-butyl-3-(3-chloro-4-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=CC(=C(C=C2)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClN2O2S2/c1-3-4-8-19(14-7-9-23(20,21)11-14)16(22)18-13-6-5-12(2)15(17)10-13/h5-6,10,14H,3-4,7-9,11H2,1-2H3,(H,18,22)/t14-/m0/s1