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

Systemtic Name: 1-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-propan-2-yl-thiourea Openeye Name: 1-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-isopropyl-thiourea CAS Name: 1-[[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-3-propan-2-ylthiourea IUPAC Name: 1-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]amino]-3-propan-2-ylthiourea Traditional Name: 1-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-pyrrolidine-3-carbonyl]amino]-3-isopropyl-thiourea Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O4S/c1-10(2)18-17(26)20-19-16(23)11-7-15(22)21(9-11)12-3-4-13-14(8-12)25-6-5-24-13/h3-4,8,10-11H,5-7,9H2,1-2H3,(H,19,23)(H2,18,20,26)/t11-/m0/s1