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

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3-[(1R)-1-phenylethyl]isothiourea CAS Name: N'-[(1R)-1-phenylethyl]carbamimidothioic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3-[(1R)-1-phenylethyl]isothiourea Formula: C18H19ClN2O2S MolecularWeight: 362.87366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N=C(N)SCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N=C(N)SCC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C18H19ClN2O2S/c1-12(13-5-3-2-4-6-13)21-18(20)24-10-15-8-16(19)7-14-9-22-11-23-17(14)15/h2-8,12H,9-11H2,1H3,(H2,20,21)/t12-/m1/s1