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

Systemtic Name: 2-(1-adamantyl)-N-[[3-(3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[3-(3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[[3-(3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[3-(3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[3-(3H-1,3-benzoxazol-2-ylidene)-4-keto-5-methyl-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]acetamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C2NC3=CC=CC=C3O2)C1=O)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC(=CC(=C2NC3=CC=CC=C3O2)C1=O)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H29N3O3S/c1-15-6-19(10-20(24(15)32)25-29-21-4-2-3-5-22(21)33-25)28-26(34)30-23(31)14-27-11-16-7-17(12-27)9-18(8-16)13-27/h2-6,10,16-18,29H,7-9,11-14H2,1H3,(H2,28,30,31,34)