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

Systemtic Name: 1-[1-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)propylamino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea Openeye Name: 1-[1-(3-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)propylamino]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea CAS Name: 1-[1-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)propylamino]-3-[[(2R)-2-oxolanyl]methyl]thiourea IUPAC Name: 1-[1-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)propylamino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea Traditional Name: 1-[1-(6-keto-3-methyl-cyclohexa-2,4-dien-1-ylidene)propylamino]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2S/c1-3-14(13-9-11(2)6-7-15(13)20)18-19-16(22)17-10-12-5-4-8-21-12/h6-7,9,12,18H,3-5,8,10H2,1-2H3,(H2,17,19,22)/t12-/m1/s1