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

Systemtic Name: 4-bromanyl-N-[[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: 4-bromo-N-[[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: 4-bromo-N-[[[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: 4-bromo-N-[[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: 4-bromo-N-[[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C28H22BrN3O3S MolecularWeight: 560.46158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC5=CC=CC=C5C(=C4OC)Br

Isomeric SMILES

CCC1=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/C28H22BrN3O3S/c1-3-16-8-10-17(11-9-16)27-31-22-15-19(12-13-23(22)35-27)30-28(36)32-26(33)21-14-18-6-4-5-7-20(18)24(29)25(21)34-2/h4-15H,3H2,1-2H3,(H2,30,32,33,36)