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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl N'-[(2S)-6-methylheptan-2-yl]carbamimidothioate Openeye Name: 3-[(1S)-1,5-dimethylhexyl]-2-[(7-methoxy-2-oxo-chromen-4-yl)methyl]isothiourea CAS Name: N'-[(2S)-6-methylheptan-2-yl]carbamimidothioic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl N'-[(2S)-6-methylheptan-2-yl]carbamimidothioate Traditional Name: 3-[(1S)-1,5-dimethylhexyl]-2-[(2-keto-7-methoxy-chromen-4-yl)methyl]isothiourea Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)N=C(N)SCC1=CC(=O)OC2=C1C=CC(=C2)OC

Isomeric SMILES

C[C@@H](CCCC(C)C)N=C(N)SCC1=CC(=O)OC2=C1C=CC(=C2)OC

InChI

InChI=1S/C20H28N2O3S/c1-13(2)6-5-7-14(3)22-20(21)26-12-15-10-19(23)25-18-11-16(24-4)8-9-17(15)18/h8-11,13-14H,5-7,12H2,1-4H3,(H2,21,22)/t14-/m0/s1