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

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3-[(1S)-1-methylpropyl]isothiourea CAS Name: N'-[(2S)-butan-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'-[(2S)-butan-2-yl]carbamimidothioate Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3-[(1S)-1-methylpropyl]isothiourea Formula: C14H19ClN2O2S MolecularWeight: 314.83086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClN2O2S/c1-3-9(2)17-14(16)20-7-11-5-12(15)4-10-6-18-8-19-13(10)11/h4-5,9H,3,6-8H2,1-2H3,(H2,16,17)/t9-/m0/s1