N-[[2-(3-bromanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide

Systemtic Name: N-[[2-(3-bromanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: N-[[2-(3-bromo-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: N-[[[2-(3-bromo-4-oxo-1-cyclohexa-2,5-dienylidene)-3H-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: N-[[2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: N-[[2-(3-bromo-4-keto-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C26H18BrN3O4S MolecularWeight: 548.40782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=C5C=CC(=O)C(=C5)Br)N4

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=C5C=CC(=O)C(=C5)Br)N4

InChI

InChI=1S/C26H18BrN3O4S/c1-33-23-12-15-5-3-2-4-14(15)10-18(23)24(32)30-26(35)28-17-7-9-22-20(13-17)29-25(34-22)16-6-8-21(31)19(27)11-16/h2-13,29H,1H3,(H2,28,30,32,35)