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

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate Openeye Name: 2-[(6,7-dimethyl-2-oxo-chromen-4-yl)methyl]-3-[(1S)-1-methylpropyl]isothiourea CAS Name: N'-[(2S)-butan-2-yl]carbamimidothioic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate Traditional Name: 2-[(2-keto-6,7-dimethyl-chromen-4-yl)methyl]-3-[(1S)-1-methylpropyl]isothiourea Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O2S/c1-5-12(4)19-17(18)22-9-13-8-16(20)21-15-7-11(3)10(2)6-14(13)15/h6-8,12H,5,9H2,1-4H3,(H2,18,19)/t12-/m0/s1