N-[[3-chloranyl-4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[[3-chloranyl-4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[[3-chloro-4-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[[3-chloro-4-(4-methylpiperazino)phenyl]thiocarbamoyl]-4-isopropyl-benzamide Formula: C22H27ClN4OS MolecularWeight: 430.99398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C)Cl

InChI

InChI=1S/C22H27ClN4OS/c1-15(2)16-4-6-17(7-5-16)21(28)25-22(29)24-18-8-9-20(19(23)14-18)27-12-10-26(3)11-13-27/h4-9,14-15H,10-13H2,1-3H3,(H2,24,25,28,29)