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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4)OC)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4)OC)Br)C

InChI

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