2-(1-adamantyl)-N-[[3-(5-ethyl-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-(5-ethyl-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-(5-ethyl-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-(5-ethyl-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-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-5-methyl-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]acetamide Formula: C29H33N3O3S MolecularWeight: 503.65562

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=C3C=C(C=C(C3=O)C)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5)N2

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=C3C=C(C=C(C3=O)C)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5)N2

InChI

InChI=1S/C29H33N3O3S/c1-3-17-4-5-24-23(10-17)31-27(35-24)22-11-21(6-16(2)26(22)34)30-28(36)32-25(33)15-29-12-18-7-19(13-29)9-20(8-18)14-29/h4-6,10-11,18-20,31H,3,7-9,12-15H2,1-2H3,(H2,30,32,33,36)