2-(1-adamantyl)-N-[[3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[[3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[4-keto-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]thiocarbamoyl]acetamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C3C=C(C=CC3=O)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5)O2

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C3C=C(C=CC3=O)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5)O2

InChI

InChI=1S/C27H29N3O3S/c1-15-2-4-21-23(6-15)33-25(29-21)20-10-19(3-5-22(20)31)28-26(34)30-24(32)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,(H2,28,30,32,34)