(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl N'-(4-chlorophenyl)carbamimidothioate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl N'-(4-chlorophenyl)carbamimidothioate Openeye Name: 3-(4-chlorophenyl)-2-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl]isothiourea CAS Name: N'-(4-chlorophenyl)carbamimidothioic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl N'-(4-chlorophenyl)carbamimidothioate Traditional Name: 3-(4-chlorophenyl)-2-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl]isothiourea Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC(=NC3=CC=C(C=C3)Cl)N)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC(=NC3=CC=C(C=C3)Cl)N)C(C)C

InChI

InChI=1S/C21H21ClN2O2S/c1-12(2)17-10-18-14(9-20(25)26-19(18)8-13(17)3)11-27-21(23)24-16-6-4-15(22)5-7-16/h4-10,12H,11H2,1-3H3,(H2,23,24)