N-[[3-chloranyl-4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[[3-chloranyl-4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[3-chloro-4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[3-chloro-4-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[3-chloro-4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]-3-methylbutanamide Traditional Name: N-[[3-chloro-4-[4-(2-chlorobenzyl)piperazino]phenyl]thiocarbamoyl]-3-methyl-butyramide Formula: C23H28Cl2N4OS MolecularWeight: 479.46562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28Cl2N4OS/c1-16(2)13-22(30)27-23(31)26-18-7-8-21(20(25)14-18)29-11-9-28(10-12-29)15-17-5-3-4-6-19(17)24/h3-8,14,16H,9-13,15H2,1-2H3,(H2,26,27,30,31)