N-[[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3,6-bis(chloranyl)-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3,6-bis(chloranyl)-1-benzothiophene-2-carboxamide Openeye Name: N-[[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3,6-dichloro-benzothiophene-2-carboxamide CAS Name: N-[[[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-3,6-dichloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-3,6-dichloro-1-benzothiophene-2-carboxamide Traditional Name: N-[[4-(3H-1,3-benzothiazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-3,6-dichloro-benzothiophene-2-carboxamide Formula: C23H13Cl2N3O2S3 MolecularWeight: 530.46922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl)S2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl)S2

InChI

InChI=1S/C23H13Cl2N3O2S3/c24-11-5-7-14-18(9-11)32-20(19(14)25)21(30)28-23(31)26-12-6-8-13(16(29)10-12)22-27-15-3-1-2-4-17(15)33-22/h1-10,27H,(H2,26,28,30,31)