(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate Openeye Name: 2-[(7-methoxy-2-oxo-chromen-4-yl)methyl]-3-[(1R)-1-phenylethyl]isothiourea CAS Name: N'-[(1R)-1-phenylethyl]carbamimidothioic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate Traditional Name: 2-[(2-keto-7-methoxy-chromen-4-yl)methyl]-3-[(1R)-1-phenylethyl]isothiourea Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N=C(N)SCC2=CC(=O)OC3=C2C=CC(=C3)OC

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N=C(N)SCC2=CC(=O)OC3=C2C=CC(=C3)OC

InChI

InChI=1S/C20H20N2O3S/c1-13(14-6-4-3-5-7-14)22-20(21)26-12-15-10-19(23)25-18-11-16(24-2)8-9-17(15)18/h3-11,13H,12H2,1-2H3,(H2,21,22)/t13-/m1/s1