2-(1-adamantyl)-N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(5-chloro-2-methyl-4-nitro-phenyl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[(5-chloro-2-methyl-4-nitroanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(5-chloro-2-methyl-4-nitro-phenyl)thiocarbamoyl]acetamide Formula: C20H24ClN3O3S MolecularWeight: 421.94086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H24ClN3O3S/c1-11-2-17(24(26)27)15(21)6-16(11)22-19(28)23-18(25)10-20-7-12-3-13(8-20)5-14(4-12)9-20/h2,6,12-14H,3-5,7-10H2,1H3,(H2,22,23,25,28)