(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl N'-phenethylcarbamimidothioate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl N'-phenethylcarbamimidothioate Openeye Name: 2-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl]-3-phenethyl-isothiourea CAS Name: N'-phenethylcarbamimidothioic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl N'-phenethylcarbamimidothioate Traditional Name: 2-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methyl]-3-phenethyl-isothiourea Formula: C20H19ClN2O2S MolecularWeight: 386.89506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC(=NCCC3=CC=CC=C3)N)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC(=NCCC3=CC=CC=C3)N)Cl

InChI

InChI=1S/C20H19ClN2O2S/c1-13-9-18-16(11-17(13)21)15(10-19(24)25-18)12-26-20(22)23-8-7-14-5-3-2-4-6-14/h2-6,9-11H,7-8,12H2,1H3,(H2,22,23)