N-tert-butyl-2-[4-[(3-chloranyl-4-methyl-phenyl)carbamothioyl]piperazin-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[(3-chloranyl-4-methyl-phenyl)carbamothioyl]piperazin-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[(3-chloro-4-methyl-phenyl)carbamothioyl]piperazin-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(3-chloro-4-methylanilino)-sulfanylidenemethyl]-1-piperazinyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(3-chloro-4-methylphenyl)carbamothioyl]piperazin-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[(3-chloro-4-methyl-phenyl)thiocarbamoyl]piperazino]acetamide Formula: C18H27ClN4OS MolecularWeight: 382.95118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)CC(=O)NC(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)CC(=O)NC(C)(C)C)Cl

InChI

InChI=1S/C18H27ClN4OS/c1-13-5-6-14(11-15(13)19)20-17(25)23-9-7-22(8-10-23)12-16(24)21-18(2,3)4/h5-6,11H,7-10,12H2,1-4H3,(H,20,25)(H,21,24)