1-[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea

Systemtic Name: 1-[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea Openeye Name: 1-[(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea CAS Name: 1-[(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-[[(2R)-2-oxolanyl]methyl]thiourea IUPAC Name: 1-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea Traditional Name: 1-[(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea Formula: C21H33N3O2S MolecularWeight: 391.57062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CNNC(=S)NCC2CCCO2)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CNNC(=S)NC[C@H]2CCCO2)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C21H33N3O2S/c1-20(2,3)16-10-14(11-17(18(16)25)21(4,5)6)12-23-24-19(27)22-13-15-8-7-9-26-15/h10-12,15,23H,7-9,13H2,1-6H3,(H2,22,24,27)/t15-/m1/s1