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

Systemtic Name: N-[[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-tert-butyl-benzamide Openeye Name: N-[[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-tert-butyl-benzamide CAS Name: N-[[[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-4-tert-butylbenzamide IUPAC Name: N-[[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-4-tert-butylbenzamide Traditional Name: N-[[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-4-tert-butyl-benzamide Formula: C25H23N3O2S2 MolecularWeight: 461.59902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C3NC4=CC=CC=C4S3)C(=O)C=C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=C/C(=C/3\NC4=CC=CC=C4S3)/C(=O)C=C2

InChI

InChI=1S/C25H23N3O2S2/c1-25(2,3)16-10-8-15(9-11-16)22(30)28-24(31)26-17-12-13-20(29)18(14-17)23-27-19-6-4-5-7-21(19)32-23/h4-14,27H,1-3H3,(H2,26,28,30,31)/b23-18-