N-(2-adamantylcarbamothioyl)-3,4-dimethyl-benzamide

Systemtic Name: N-(2-adamantylcarbamothioyl)-3,4-dimethyl-benzamide Openeye Name: N-(2-adamantylcarbamothioyl)-3,4-dimethyl-benzamide CAS Name: N-[(2-adamantylamino)-sulfanylidenemethyl]-3,4-dimethylbenzamide IUPAC Name: N-(2-adamantylcarbamothioyl)-3,4-dimethylbenzamide Traditional Name: N-(2-adamantylthiocarbamoyl)-3,4-dimethyl-benzamide Formula: C20H26N2OS MolecularWeight: 342.49824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)C

InChI

InChI=1S/C20H26N2OS/c1-11-3-4-15(5-12(11)2)19(23)22-20(24)21-18-16-7-13-6-14(9-16)10-17(18)8-13/h3-5,13-14,16-18H,6-10H2,1-2H3,(H2,21,22,23,24)