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

Systemtic Name: N-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-5-bromanyl-naphthalene-1-carboxamide Openeye Name: N-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-5-bromo-naphthalene-1-carboxamide CAS Name: N-[[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-5-bromo-1-naphthalenecarboxamide IUPAC Name: N-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-5-bromonaphthalene-1-carboxamide Traditional Name: N-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-5-methyl-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-5-bromo-1-naphthamide Formula: C26H18BrN3O2S2 MolecularWeight: 548.47402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C2NC3=CC=CC=C3S2)C1=O)NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Br

Isomeric SMILES

CC1=CC(=C/C(=C\2/NC3=CC=CC=C3S2)/C1=O)NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Br

InChI

InChI=1S/C26H18BrN3O2S2/c1-14-12-15(13-19(23(14)31)25-29-21-10-2-3-11-22(21)34-25)28-26(33)30-24(32)18-8-4-7-17-16(18)6-5-9-20(17)27/h2-13,29H,1H3,(H2,28,30,32,33)/b25-19+