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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate Openeye Name: 2-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl]-3-[(1R)-1-phenylethyl]isothiourea CAS Name: N'-[(1R)-1-phenylethyl]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'-[(1R)-1-phenylethyl]carbamimidothioate Traditional Name: 2-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methyl]-3-[(1R)-1-phenylethyl]isothiourea Formula: C20H19ClN2O2S MolecularWeight: 386.89506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC(=NC(C)C3=CC=CC=C3)N)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC(=N[C@H](C)C3=CC=CC=C3)N)Cl

InChI

InChI=1S/C20H19ClN2O2S/c1-12-8-18-16(10-17(12)21)15(9-19(24)25-18)11-26-20(22)23-13(2)14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H2,22,23)/t13-/m1/s1