(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl N'-(3-methoxyphenyl)carbamimidothioate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl N'-(3-methoxyphenyl)carbamimidothioate Openeye Name: 2-[(7,8-dimethyl-2-oxo-chromen-4-yl)methyl]-3-(3-methoxyphenyl)isothiourea CAS Name: N'-(3-methoxyphenyl)carbamimidothioic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl N'-(3-methoxyphenyl)carbamimidothioate Traditional Name: 2-[(2-keto-7,8-dimethyl-chromen-4-yl)methyl]-3-(3-methoxyphenyl)isothiourea Formula: C20H20N2O3S MolecularWeight: 368.4494

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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)OC)N)C

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S/c1-12-7-8-17-14(9-18(23)25-19(17)13(12)2)11-26-20(21)22-15-5-4-6-16(10-15)24-3/h4-10H,11H2,1-3H3,(H2,21,22)