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

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl N'-(phenylmethyl)carbamimidothioate Openeye Name: 3-benzyl-2-[(6,7-dimethyl-2-oxo-chromen-4-yl)methyl]isothiourea CAS Name: N'-(phenylmethyl)carbamimidothioic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl N'-benzylcarbamimidothioate Traditional Name: 3-benzyl-2-[(2-keto-6,7-dimethyl-chromen-4-yl)methyl]isothiourea Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC(=NCC3=CC=CC=C3)N)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC(=NCC3=CC=CC=C3)N)C

InChI

InChI=1S/C20H20N2O2S/c1-13-8-17-16(10-19(23)24-18(17)9-14(13)2)12-25-20(21)22-11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H2,21,22)