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

Systemtic Name: 4-bromanyl-N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: 4-bromo-N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: 4-bromo-N-[[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: 4-bromo-N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: 4-bromo-N-[[2-(3,4-dimethylphenyl)-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:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC5=CC=CC=C5C(=C4OC)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC5=CC=CC=C5C(=C4OC)Br)C

InChI

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