4-bromanyl-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]benzamide

Systemtic Name: 4-bromanyl-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]benzamide Openeye Name: 4-bromo-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]benzamide CAS Name: 4-bromo-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxyanilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-bromo-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl]benzamide Traditional Name: 4-bromo-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]thiocarbamoyl]benzamide Formula: C24H20BrN3O3S MolecularWeight: 510.4029

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)OC(=N2)C3=CC(=C(C=C3)OC)NC(=S)NC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC2=C(C=C1C)OC(=N2)C3=CC(=C(C=C3)OC)NC(=S)NC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H20BrN3O3S/c1-13-10-18-21(11-14(13)2)31-23(26-18)16-6-9-20(30-3)19(12-16)27-24(32)28-22(29)15-4-7-17(25)8-5-15/h4-12H,1-3H3,(H2,27,28,29,32)