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

Systemtic Name: N-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-1-phenyl-cyclopentane-1-carboxamide Openeye Name: N-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-1-phenyl-cyclopentanecarboxamide CAS Name: N-[[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-1-phenyl-1-cyclopentanecarboxamide IUPAC Name: N-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-1-phenylcyclopentane-1-carboxamide Traditional Name: N-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-5-methyl-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-1-phenyl-cyclopentanecarboxamide Formula: C27H25N3O2S2 MolecularWeight: 487.6363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C2NC3=CC=CC=C3S2)C1=O)NC(=S)NC(=O)C4(CCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C/C(=C\2/NC3=CC=CC=C3S2)/C1=O)NC(=S)NC(=O)C4(CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C27H25N3O2S2/c1-17-15-19(16-20(23(17)31)24-29-21-11-5-6-12-22(21)34-24)28-26(33)30-25(32)27(13-7-8-14-27)18-9-3-2-4-10-18/h2-6,9-12,15-16,29H,7-8,13-14H2,1H3,(H2,28,30,32,33)/b24-20+