(3-methyl-4-oxidanylidene-2-phenyl-chromen-8-yl)methyl carbamimidothioate hydrochloride

Systemtic Name: (3-methyl-4-oxidanylidene-2-phenyl-chromen-8-yl)methyl carbamimidothioate hydrochloride Openeye Name: 2-[(3-methyl-4-oxo-2-phenyl-chromen-8-yl)methyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid (3-methyl-4-oxo-2-phenyl-1-benzopyran-8-yl)methyl ester hydrochloride IUPAC Name: (3-methyl-4-oxo-2-phenylchromen-8-yl)methyl carbamimidothioate hydrochloride Traditional Name: 2-[(4-keto-3-methyl-2-phenyl-chromen-8-yl)methyl]isothiourea hydrochloride Formula: C18H17ClN2O2S MolecularWeight: 360.85778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2CSC(=N)N)C3=CC=CC=C3.Cl

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2CSC(=N)N)C3=CC=CC=C3.Cl

InChI

InChI=1S/C18H16N2O2S.ClH/c1-11-15(21)14-9-5-8-13(10-23-18(19)20)17(14)22-16(11)12-6-3-2-4-7-12;/h2-9H,10H2,1H3,(H3,19,20);1H