4-bromanyl-N-[[4-chloranyl-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide

Systemtic Name: 4-bromanyl-N-[[4-chloranyl-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: 4-bromo-N-[[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: 4-bromo-N-[[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: 4-bromo-N-[[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: 4-bromo-N-[[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C28H21BrClN3O3S MolecularWeight: 594.90664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(O2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC5=CC=CC=C5C(=C4OC)Br)Cl)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(O2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC5=CC=CC=C5C(=C4OC)Br)Cl)C

InChI

InChI=1S/C28H21BrClN3O3S/c1-14-10-15(2)24-22(11-14)32-27(36-24)19-13-17(8-9-21(19)30)31-28(37)33-26(34)20-12-16-6-4-5-7-18(16)23(29)25(20)35-3/h4-13H,1-3H3,(H2,31,33,34,37)