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

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl N'-[(2-methoxyphenyl)methyl]carbamimidothioate Openeye Name: 2-[(6,7-dimethyl-2-oxo-chromen-4-yl)methyl]-3-[(2-methoxyphenyl)methyl]isothiourea CAS Name: N'-[(2-methoxyphenyl)methyl]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-methoxyphenyl)methyl]carbamimidothioate Traditional Name: 2-[(2-keto-6,7-dimethyl-chromen-4-yl)methyl]-3-o-anisyl-isothiourea Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC(=NCC3=CC=CC=C3OC)N)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC(=NCC3=CC=CC=C3OC)N)C

InChI

InChI=1S/C21H22N2O3S/c1-13-8-17-16(10-20(24)26-19(17)9-14(13)2)12-27-21(22)23-11-15-6-4-5-7-18(15)25-3/h4-10H,11-12H2,1-3H3,(H2,22,23)