4-bromanyl-N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide

Systemtic Name: 4-bromanyl-N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: 4-bromo-N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: 4-bromo-N-[[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: 4-bromo-N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: 4-bromo-N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C30H26BrN3O3S MolecularWeight: 588.51474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC5=CC=CC=C5C(=C4OC)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC5=CC=CC=C5C(=C4OC)Br

InChI

InChI=1S/C30H26BrN3O3S/c1-30(2,3)19-11-9-17(10-12-19)28-33-23-16-20(13-14-24(23)37-28)32-29(38)34-27(35)22-15-18-7-5-6-8-21(18)25(31)26(22)36-4/h5-16H,1-4H3,(H2,32,34,35,38)