(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl N'-phenethylcarbamimidothioate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl N'-phenethylcarbamimidothioate Openeye Name: 2-[(6,7-dimethyl-2-oxo-chromen-4-yl)methyl]-3-phenethyl-isothiourea CAS Name: N'-phenethylcarbamimidothioic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl N'-phenethylcarbamimidothioate Traditional Name: 2-[(2-keto-6,7-dimethyl-chromen-4-yl)methyl]-3-phenethyl-isothiourea Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC(=NCCC3=CC=CC=C3)N)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC(=NCCC3=CC=CC=C3)N)C

InChI

InChI=1S/C21H22N2O2S/c1-14-10-18-17(12-20(24)25-19(18)11-15(14)2)13-26-21(22)23-9-8-16-6-4-3-5-7-16/h3-7,10-12H,8-9,13H2,1-2H3,(H2,22,23)