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

Systemtic Name: N-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-5-chloranyl-naphthalene-1-carboxamide Openeye Name: N-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-5-chloro-naphthalene-1-carboxamide CAS Name: N-[[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-5-chloro-1-naphthalenecarboxamide IUPAC Name: N-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-5-chloronaphthalene-1-carboxamide Traditional Name: N-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-5-chloro-1-naphthamide Formula: C25H16ClN3O2S2 MolecularWeight: 489.99644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Cl)S2

Isomeric SMILES

C1=CC=C2C(=C1)N/C(=C\3/C=C(C=CC3=O)NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Cl)/S2

InChI

InChI=1S/C25H16ClN3O2S2/c26-19-8-4-5-15-16(19)6-3-7-17(15)23(31)29-25(32)27-14-11-12-21(30)18(13-14)24-28-20-9-1-2-10-22(20)33-24/h1-13,28H,(H2,27,29,31,32)/b24-18+