[4-[(4-bromanylcyclohexa-1,3-dien-1-yl)amino]-2-ethoxy-phenyl]-(2-methylphenyl)methanethione

Systemtic Name: [4-[(4-bromanylcyclohexa-1,3-dien-1-yl)amino]-2-ethoxy-phenyl]-(2-methylphenyl)methanethione Openeye Name: [4-[(4-bromocyclohexa-1,3-dien-1-yl)amino]-2-ethoxy-phenyl]-(o-tolyl)methanethione CAS Name: [4-[(4-bromo-1-cyclohexa-1,3-dienyl)amino]-2-ethoxyphenyl]-(2-methylphenyl)methanethione IUPAC Name: [4-[(4-bromocyclohexa-1,3-dien-1-yl)amino]-2-ethoxyphenyl]-(2-methylphenyl)methanethione Traditional Name: [4-[(4-bromocyclohexa-1,3-dien-1-yl)amino]-2-ethoxy-phenyl]-(o-tolyl)methanethione Formula: C22H22BrNOS MolecularWeight: 428.38518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)NC2=CC=C(CC2)Br)C(=S)C3=CC=CC=C3C

Isomeric SMILES

CCOC1=C(C=CC(=C1)NC2=CC=C(CC2)Br)C(=S)C3=CC=CC=C3C

InChI

InChI=1S/C22H22BrNOS/c1-3-25-21-14-18(24-17-10-8-16(23)9-11-17)12-13-20(21)22(26)19-7-5-4-6-15(19)2/h4-8,10,12-14,24H,3,9,11H2,1-2H3