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

Systemtic Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-4-tert-butyl-benzamide Openeye Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]-4-tert-butyl-benzamide CAS Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]-4-tert-butylbenzamide IUPAC Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-4-tert-butylbenzamide Traditional Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]-4-tert-butyl-benzamide Formula: C24H22N2O2S MolecularWeight: 402.50868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O2S/c1-24(2,3)16-10-8-15(9-11-16)22(28)25-17-12-13-20(27)18(14-17)23-26-19-6-4-5-7-21(19)29-23/h4-14,26H,1-3H3,(H,25,28)/b23-18+