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

Systemtic Name: 5-bromanyl-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-bromo-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-bromo-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxyanilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-bromo-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-bromo-N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]thiocarbamoyl]-1-naphthamide Formula: C28H22BrN3O3S MolecularWeight: 560.46158

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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=CC5=C4C=CC=C5Br

Isomeric SMILES

CC1=CC2=C(C=C1C)OC(=N2)C3=CC(=C(C=C3)OC)NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Br

InChI

InChI=1S/C28H22BrN3O3S/c1-15-12-22-25(13-16(15)2)35-27(30-22)17-10-11-24(34-3)23(14-17)31-28(36)32-26(33)20-8-4-7-19-18(20)6-5-9-21(19)29/h4-14H,1-3H3,(H2,31,32,33,36)