N-(1-adamantylcarbamothioyl)-3-chloranyl-4-methyl-benzamide

Systemtic Name: N-(1-adamantylcarbamothioyl)-3-chloranyl-4-methyl-benzamide Openeye Name: N-(1-adamantylcarbamothioyl)-3-chloro-4-methyl-benzamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-3-chloro-4-methylbenzamide IUPAC Name: N-(1-adamantylcarbamothioyl)-3-chloro-4-methylbenzamide Traditional Name: N-(1-adamantylthiocarbamoyl)-3-chloro-4-methyl-benzamide Formula: C19H23ClN2OS MolecularWeight: 362.91672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC23CC4CC(C2)CC(C4)C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC23CC4CC(C2)CC(C4)C3)Cl

InChI

InChI=1S/C19H23ClN2OS/c1-11-2-3-15(7-16(11)20)17(23)21-18(24)22-19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,12-14H,4-6,8-10H2,1H3,(H2,21,22,23,24)