N-[4-[[3-chloranyl-4-(4-methylpiperazin-1-yl)phenyl]carbamothioylamino]phenyl]ethanamide

Systemtic Name: N-[4-[[3-chloranyl-4-(4-methylpiperazin-1-yl)phenyl]carbamothioylamino]phenyl]ethanamide Openeye Name: N-[4-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamothioylamino]phenyl]acetamide CAS Name: N-[4-[[[3-chloro-4-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamothioylamino]phenyl]acetamide Traditional Name: N-[4-[[3-chloro-4-(4-methylpiperazino)phenyl]thiocarbamoylamino]phenyl]acetamide Formula: C20H24ClN5OS MolecularWeight: 417.95546

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C)Cl

InChI

InChI=1S/C20H24ClN5OS/c1-14(27)22-15-3-5-16(6-4-15)23-20(28)24-17-7-8-19(18(21)13-17)26-11-9-25(2)10-12-26/h3-8,13H,9-12H2,1-2H3,(H,22,27)(H2,23,24,28)