(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl N'-phenylcarbamimidothioate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl N'-phenylcarbamimidothioate Openeye Name: 2-[(7,8-dimethyl-2-oxo-chromen-4-yl)methyl]-3-phenyl-isothiourea CAS Name: N'-phenylcarbamimidothioic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl N'-phenylcarbamimidothioate Traditional Name: 2-[(2-keto-7,8-dimethyl-chromen-4-yl)methyl]-3-phenyl-isothiourea Formula: C19H18N2O2S MolecularWeight: 338.42342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC(=NC3=CC=CC=C3)N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC(=NC3=CC=CC=C3)N)C

InChI

InChI=1S/C19H18N2O2S/c1-12-8-9-16-14(10-17(22)23-18(16)13(12)2)11-24-19(20)21-15-6-4-3-5-7-15/h3-10H,11H2,1-2H3,(H2,20,21)