3-butoxy-N-[[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-butoxy-N-[[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[5-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[5-chloro-2-(4-propionylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C25H31ClN4O3S MolecularWeight: 503.05664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)C(=O)CC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)C(=O)CC

InChI

InChI=1S/C25H31ClN4O3S/c1-3-5-15-33-20-8-6-7-18(16-20)24(32)28-25(34)27-21-17-19(26)9-10-22(21)29-11-13-30(14-12-29)23(31)4-2/h6-10,16-17H,3-5,11-15H2,1-2H3,(H2,27,28,32,34)