methyl N'-(6-bromanyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-(4-chlorophenyl)carbamimidothioate

Systemtic Name: methyl N'-(6-bromanyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-(4-chlorophenyl)carbamimidothioate Openeye Name: 3-(6-bromo-2,2-dimethyl-chroman-4-yl)-1-(4-chlorophenyl)-2-methyl-isothiourea CAS Name: N'-(6-bromo-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-N-(4-chlorophenyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(6-bromo-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-(4-chlorophenyl)carbamimidothioate Traditional Name: 3-(6-bromo-2,2-dimethyl-chroman-4-yl)-1-(4-chlorophenyl)-2-methyl-isothiourea Formula: C19H20BrClN2OS MolecularWeight: 439.7969

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=C(O1)C=CC(=C2)Br)N=C(NC3=CC=C(C=C3)Cl)SC)C

Isomeric SMILES

CC1(CC(C2=C(O1)C=CC(=C2)Br)N=C(NC3=CC=C(C=C3)Cl)SC)C

InChI

InChI=1S/C19H20BrClN2OS/c1-19(2)11-16(15-10-12(20)4-9-17(15)24-19)23-18(25-3)22-14-7-5-13(21)6-8-14/h4-10,16H,11H2,1-3H3,(H,22,23)