2-methyl-N-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]carbamothioyl]propanamide

Systemtic Name: 2-methyl-N-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]carbamothioyl]propanamide Openeye Name: N-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamothioyl]-2-methyl-propanamide CAS Name: 2-methyl-N-[[4-[4-(phenylmethyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamothioyl]-2-methylpropanamide Traditional Name: N-[[4-(4-benzylpiperazino)phenyl]thiocarbamoyl]-2-methyl-propionamide Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(=S)NC1=CC=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)NC(=S)NC1=CC=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N4OS/c1-17(2)21(27)24-22(28)23-19-8-10-20(11-9-19)26-14-12-25(13-15-26)16-18-6-4-3-5-7-18/h3-11,17H,12-16H2,1-2H3,(H2,23,24,27,28)