N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-5-(4-bromophenyl)furan-2-carboxamide

Systemtic Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-5-(4-bromophenyl)furan-2-carboxamide Openeye Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxo-cyclohexa-1,5-dien-1-yl]-5-(4-bromophenyl)furan-2-carboxamide CAS Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxo-1-cyclohexa-1,5-dienyl]-5-(4-bromophenyl)-2-furancarboxamide IUPAC Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxocyclohexa-1,5-dien-1-yl]-5-(4-bromophenyl)furan-2-carboxamide Traditional Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-5-methyl-cyclohexa-1,5-dien-1-yl]-5-(4-bromophenyl)-2-furamide Formula: C25H17BrN2O3S MolecularWeight: 505.38308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C2NC3=CC=CC=C3S2)C1=O)NC(=O)C4=CC=C(O4)C5=CC=C(C=C5)Br

Isomeric SMILES

CC1=CC(=C/C(=C\2/NC3=CC=CC=C3S2)/C1=O)NC(=O)C4=CC=C(O4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C25H17BrN2O3S/c1-14-12-17(13-18(23(14)29)25-28-19-4-2-3-5-22(19)32-25)27-24(30)21-11-10-20(31-21)15-6-8-16(26)9-7-15/h2-13,28H,1H3,(H,27,30)/b25-18+