N-[[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-morpholinosulfonyl-benzamide CAS Name: N-[[[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[[3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-4-morpholinosulfonyl-benzamide Formula: C25H22N4O5S3 MolecularWeight: 554.66098

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(=S)NC3=CC(=C4NC5=CC=CC=C5S4)C(=O)C=C3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(=S)NC3=CC(=C4NC5=CC=CC=C5S4)C(=O)C=C3

InChI

InChI=1S/C25H22N4O5S3/c30-21-10-7-17(15-19(21)24-27-20-3-1-2-4-22(20)36-24)26-25(35)28-23(31)16-5-8-18(9-6-16)37(32,33)29-11-13-34-14-12-29/h1-10,15,27H,11-14H2,(H2,26,28,31,35)