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

Systemtic Name: 4-bromanyl-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: 4-bromo-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: 4-bromo-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: 4-bromo-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: 4-bromo-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-3-methoxy-2-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)NC(=S)NC(=O)C4=CC5=CC=CC=C5C(=C4OC)Br

Isomeric SMILES

CC1=CC2=C(C=C1C)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC5=CC=CC=C5C(=C4OC)Br

InChI

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