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

Systemtic Name: N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]propanamide Openeye Name: N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]propanamide CAS Name: N-[[4-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]propanamide Traditional Name: N-[[4-[4-(2-chlorobenzyl)piperazino]phenyl]thiocarbamoyl]propionamide Formula: C21H25ClN4OS MolecularWeight: 416.9674

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=CC=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3Cl

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C21H25ClN4OS/c1-2-20(27)24-21(28)23-17-7-9-18(10-8-17)26-13-11-25(12-14-26)15-16-5-3-4-6-19(16)22/h3-10H,2,11-15H2,1H3,(H2,23,24,27,28)