3-bromanyl-N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]benzamide Formula: C24H20BrN3O2S MolecularWeight: 494.4035

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(O2)C3=C(C(=CC=C3)NC(=S)NC(=O)C4=CC(=CC=C4)Br)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(O2)C3=C(C(=CC=C3)NC(=S)NC(=O)C4=CC(=CC=C4)Br)C)C

InChI

InChI=1S/C24H20BrN3O2S/c1-13-10-14(2)21-20(11-13)26-23(30-21)18-8-5-9-19(15(18)3)27-24(31)28-22(29)16-6-4-7-17(25)12-16/h4-12H,1-3H3,(H2,27,28,29,31)