3-(1,3-benzodioxol-5-ylmethyl)-1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-1-butyl-thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-1-butyl-thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1-[(3S)-1,1-dioxothiolan-3-yl]thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1-[(3S)-1,1-dioxo-3-thiolanyl]thiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1-[(3S)-1,1-dioxothiolan-3-yl]thiourea Traditional Name: 1-butyl-1-[(3S)-1,1-diketothiolan-3-yl]-3-piperonyl-thiourea Formula: C17H24N2O4S2 MolecularWeight: 384.51346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1CCS(=O)(=O)C1)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCN([C@H]1CCS(=O)(=O)C1)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H24N2O4S2/c1-2-3-7-19(14-6-8-25(20,21)11-14)17(24)18-10-13-4-5-15-16(9-13)23-12-22-15/h4-5,9,14H,2-3,6-8,10-12H2,1H3,(H,18,24)/t14-/m0/s1