1-[1-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)propylamino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea

Systemtic Name: 1-[1-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)propylamino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea Openeye Name: 1-[1-(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)propylamino]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea CAS Name: 1-[1-(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)propylamino]-3-[[(2R)-2-oxolanyl]methyl]thiourea IUPAC Name: 1-[1-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)propylamino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea Traditional Name: 1-[1-(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)propylamino]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea Formula: C15H20BrN3O2S MolecularWeight: 386.3072

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C=C(C=CC1=O)Br)NNC(=S)NCC2CCCO2

Isomeric SMILES

CCC(=C1C=C(C=CC1=O)Br)NNC(=S)NC[C@H]2CCCO2

InChI

InChI=1S/C15H20BrN3O2S/c1-2-13(12-8-10(16)5-6-14(12)20)18-19-15(22)17-9-11-4-3-7-21-11/h5-6,8,11,18H,2-4,7,9H2,1H3,(H2,17,19,22)/t11-/m1/s1