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

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl N'-(4-chlorophenyl)carbamimidothioate Openeye Name: 3-(4-chlorophenyl)-2-[(7,8-dimethyl-2-oxo-chromen-4-yl)methyl]isothiourea CAS Name: N'-(4-chlorophenyl)carbamimidothioic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl N'-(4-chlorophenyl)carbamimidothioate Traditional Name: 3-(4-chlorophenyl)-2-[(2-keto-7,8-dimethyl-chromen-4-yl)methyl]isothiourea Formula: C19H17ClN2O2S MolecularWeight: 372.86848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN2O2S/c1-11-3-8-16-13(9-17(23)24-18(16)12(11)2)10-25-19(21)22-15-6-4-14(20)5-7-15/h3-9H,10H2,1-2H3,(H2,21,22)