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

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl N'-(2-methoxyethyl)carbamimidothioate Openeye Name: 2-[(6,7-dimethyl-2-oxo-chromen-4-yl)methyl]-3-(2-methoxyethyl)isothiourea CAS Name: N'-(2-methoxyethyl)carbamimidothioic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl N'-(2-methoxyethyl)carbamimidothioate Traditional Name: 2-[(2-keto-6,7-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(C=C2C(=C1)C(=CC(=O)O2)CSC(=NCCOC)N)C

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3S/c1-10-6-13-12(9-22-16(17)18-4-5-20-3)8-15(19)21-14(13)7-11(10)2/h6-8H,4-5,9H2,1-3H3,(H2,17,18)