(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate Openeye Name: 2-[(7,8-dimethyl-2-oxo-chromen-4-yl)methyl]-3-[(1R)-1-phenylethyl]isothiourea CAS Name: N'-[(1R)-1-phenylethyl]carbamimidothioic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate Traditional Name: 2-[(2-keto-7,8-dimethyl-chromen-4-yl)methyl]-3-[(1R)-1-phenylethyl]isothiourea Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC(=NC(C)C3=CC=CC=C3)N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC(=N[C@H](C)C3=CC=CC=C3)N)C

InChI

InChI=1S/C21H22N2O2S/c1-13-9-10-18-17(11-19(24)25-20(18)14(13)2)12-26-21(22)23-15(3)16-7-5-4-6-8-16/h4-11,15H,12H2,1-3H3,(H2,22,23)/t15-/m1/s1