1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-phenethyl-thiourea

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-phenethyl-thiourea Openeye Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-phenethyl-thiourea CAS Name: 1-[(3S)-1,1-dioxo-3-thiolanyl]-1-[3-(4-morpholin-4-iumyl)propyl]-3-phenethylthiourea IUPAC Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-phenethylthiourea Traditional Name: 1-[(3S)-1,1-diketothiolan-3-yl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-phenethyl-thiourea Formula: C20H32N3O3S2+ MolecularWeight: 426.61638

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N(CCC[NH+]2CCOCC2)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1N(CCC[NH+]2CCOCC2)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C20H31N3O3S2/c24-28(25)16-8-19(17-28)23(11-4-10-22-12-14-26-15-13-22)20(27)21-9-7-18-5-2-1-3-6-18/h1-3,5-6,19H,4,7-17H2,(H,21,27)/p+1/t19-/m0/s1