(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate Openeye Name: 2-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl]-3-[(1S)-1-methylpropyl]isothiourea CAS Name: N'-[(2S)-butan-2-yl]carbamimidothioic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate Traditional Name: 2-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methyl]-3-[(1S)-1-methylpropyl]isothiourea Formula: C16H19ClN2O2S MolecularWeight: 338.85226

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N=C(N)SCC1=CC(=O)OC2=CC(=C(C=C12)Cl)C

Isomeric SMILES

CC[C@H](C)N=C(N)SCC1=CC(=O)OC2=CC(=C(C=C12)Cl)C

InChI

InChI=1S/C16H19ClN2O2S/c1-4-10(3)19-16(18)22-8-11-6-15(20)21-14-5-9(2)13(17)7-12(11)14/h5-7,10H,4,8H2,1-3H3,(H2,18,19)/t10-/m0/s1