1-tert-butyl-3-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]thiourea

Systemtic Name: 1-tert-butyl-3-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]thiourea Openeye Name: 1-tert-butyl-3-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]thiourea CAS Name: 1-tert-butyl-3-[[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]amino]thiourea Traditional Name: 1-tert-butyl-3-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-pyrrolidine-3-carbonyl]amino]thiourea Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)C1CC(=O)N(C1)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)[C@H]1CC(=O)N(C1)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H24N4O4S/c1-18(2,3)19-17(27)21-20-16(24)11-8-15(23)22(10-11)12-4-5-13-14(9-12)26-7-6-25-13/h4-5,9,11H,6-8,10H2,1-3H3,(H,20,24)(H2,19,21,27)/t11-/m0/s1