1-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]carbonylamino]-3-(4-butylphenyl)thiourea

Systemtic Name: 1-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]carbonylamino]-3-(4-butylphenyl)thiourea Openeye Name: 1-(4-butylphenyl)-3-[[(3R)-1,1-dioxothiolane-3-carbonyl]amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[[(3R)-1,1-dioxo-3-thiolanyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[[(3R)-1,1-dioxothiolane-3-carbonyl]amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[[(3R)-1,1-diketothiolane-3-carbonyl]amino]thiourea Formula: C16H23N3O3S2 MolecularWeight: 369.50212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2CCS(=O)(=O)C2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)[C@H]2CCS(=O)(=O)C2

InChI

InChI=1S/C16H23N3O3S2/c1-2-3-4-12-5-7-14(8-6-12)17-16(23)19-18-15(20)13-9-10-24(21,22)11-13/h5-8,13H,2-4,9-11H2,1H3,(H,18,20)(H2,17,19,23)/t13-/m0/s1