2-(1-adamantyl)-N-[[4-(1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[4-(1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[4-(1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[[4-(1,3-benzoxazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[4-(1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[4-(1,3-benzoxazol-2-yl)benzyl]thiocarbamoyl]acetamide Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NCC4=CC=C(C=C4)C5=NC6=CC=CC=C6O5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NCC4=CC=C(C=C4)C5=NC6=CC=CC=C6O5

InChI

InChI=1S/C27H29N3O2S/c31-24(15-27-12-18-9-19(13-27)11-20(10-18)14-27)30-26(33)28-16-17-5-7-21(8-6-17)25-29-22-3-1-2-4-23(22)32-25/h1-8,18-20H,9-16H2,(H2,28,30,31,33)