1-(6-azanylhexyl)-3-[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]thiourea

Systemtic Name: 1-(6-azanylhexyl)-3-[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]thiourea Openeye Name: 1-(6-aminohexyl)-3-(3-methyl-1,1-dioxo-thiolan-3-yl)thiourea CAS Name: 1-(6-aminohexyl)-3-(3-methyl-1,1-dioxo-3-thiolanyl)thiourea IUPAC Name: 1-(6-aminohexyl)-3-(3-methyl-1,1-dioxothiolan-3-yl)thiourea Traditional Name: 1-(6-aminohexyl)-3-(1,1-diketo-3-methyl-thiolan-3-yl)thiourea Formula: C12H25N3O2S2 MolecularWeight: 307.4758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCS(=O)(=O)C1)NC(=S)NCCCCCCN

Isomeric SMILES

CC1(CCS(=O)(=O)C1)NC(=S)NCCCCCCN

InChI

InChI=1S/C12H25N3O2S2/c1-12(6-9-19(16,17)10-12)15-11(18)14-8-5-3-2-4-7-13/h2-10,13H2,1H3,(H2,14,15,18)