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

Systemtic Name: N-[[3-chloranyl-2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[3-chloro-2-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-3-propoxybenzamide Traditional Name: N-[[3-chloro-2-(4-methylpiperazino)phenyl]thiocarbamoyl]-3-propoxy-benzamide Formula: C22H27ClN4O2S MolecularWeight: 446.99338

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCN(CC3)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCN(CC3)C

InChI

InChI=1S/C22H27ClN4O2S/c1-3-14-29-17-7-4-6-16(15-17)21(28)25-22(30)24-19-9-5-8-18(23)20(19)27-12-10-26(2)11-13-27/h4-9,15H,3,10-14H2,1-2H3,(H2,24,25,28,30)