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

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl N'-(2-methoxyethyl)carbamimidothioate Openeye Name: 2-[(7,8-dimethyl-2-oxo-chromen-4-yl)methyl]-3-(2-methoxyethyl)isothiourea CAS Name: N'-(2-methoxyethyl)carbamimidothioic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl N'-(2-methoxyethyl)carbamimidothioate Traditional Name: 2-[(2-keto-7,8-dimethyl-chromen-4-yl)methyl]-3-(2-methoxyethyl)isothiourea Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3S/c1-10-4-5-13-12(8-14(19)21-15(13)11(10)2)9-22-16(17)18-6-7-20-3/h4-5,8H,6-7,9H2,1-3H3,(H2,17,18)