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

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3-(2,5-dimethylphenyl)-1-propyl-thiourea Openeye Name: 3-(2,5-dimethylphenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-1-propyl-thiourea CAS Name: 3-(2,5-dimethylphenyl)-1-[(3S)-1,1-dioxo-3-thiolanyl]-1-propylthiourea IUPAC Name: 3-(2,5-dimethylphenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-1-propylthiourea Traditional Name: 1-[(3S)-1,1-diketothiolan-3-yl]-3-(2,5-dimethylphenyl)-1-propyl-thiourea Formula: C16H24N2O2S2 MolecularWeight: 340.50396

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1CCS(=O)(=O)C1)C(=S)NC2=C(C=CC(=C2)C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2S2/c1-4-8-18(14-7-9-22(19,20)11-14)16(21)17-15-10-12(2)5-6-13(15)3/h5-6,10,14H,4,7-9,11H2,1-3H3,(H,17,21)/t14-/m0/s1