(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl N'-prop-2-enylcarbamimidothioate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl N'-prop-2-enylcarbamimidothioate Openeye Name: 3-allyl-2-[(7,8-dimethyl-2-oxo-chromen-4-yl)methyl]isothiourea CAS Name: N'-prop-2-enylcarbamimidothioic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl N'-prop-2-enylcarbamimidothioate Traditional Name: 3-allyl-2-[(2-keto-7,8-dimethyl-chromen-4-yl)methyl]isothiourea Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O2S/c1-4-7-18-16(17)21-9-12-8-14(19)20-15-11(3)10(2)5-6-13(12)15/h4-6,8H,1,7,9H2,2-3H3,(H2,17,18)