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

Systemtic Name: 2-(1-adamantyl)-N-[[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[4-(3H-1,3-benzothiazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]acetamide Formula: C26H27N3O2S2 MolecularWeight: 477.64148

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC(=O)C(=C5NC6=CC=CC=C6S5)C=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC(=O)C(=C5NC6=CC=CC=C6S5)C=C4

InChI

InChI=1S/C26H27N3O2S2/c30-21-10-18(5-6-19(21)24-28-20-3-1-2-4-22(20)33-24)27-25(32)29-23(31)14-26-11-15-7-16(12-26)9-17(8-15)13-26/h1-6,10,15-17,28H,7-9,11-14H2,(H2,27,29,31,32)