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

Systemtic Name: methyl N'-(6-bromanyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-(3-cyanophenyl)carbamimidothioate Openeye Name: 3-(6-bromo-2,2-dimethyl-chroman-4-yl)-1-(3-cyanophenyl)-2-methyl-isothiourea CAS Name: N'-(6-bromo-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-N-(3-cyanophenyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(6-bromo-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-(3-cyanophenyl)carbamimidothioate Traditional Name: 3-(6-bromo-2,2-dimethyl-chroman-4-yl)-1-(3-cyanophenyl)-2-methyl-isothiourea Formula: C20H20BrN3OS MolecularWeight: 430.3613

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN3OS/c1-20(2)11-17(16-10-14(21)7-8-18(16)25-20)24-19(26-3)23-15-6-4-5-13(9-15)12-22/h4-10,17H,11H2,1-3H3,(H,23,24)