(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioate Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3-[(1R)-2-methoxy-1-methyl-ethyl]isothiourea CAS Name: N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioate Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3-[(1R)-2-methoxy-1-methyl-ethyl]isothiourea Formula: C14H19ClN2O3S MolecularWeight: 330.83026

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)N=C(N)SCC1=C2C(=CC(=C1)Cl)COCO2

Isomeric SMILES

C[C@H](COC)N=C(N)SCC1=C2C(=CC(=C1)Cl)COCO2

InChI

InChI=1S/C14H19ClN2O3S/c1-9(5-18-2)17-14(16)21-7-11-4-12(15)3-10-6-19-8-20-13(10)11/h3-4,9H,5-8H2,1-2H3,(H2,16,17)/t9-/m1/s1