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

Systemtic Name: 3-butoxy-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[4-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[4-(4-propionylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C25H32N4O3S MolecularWeight: 468.61158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O3S/c1-3-5-17-32-22-8-6-7-19(18-22)24(31)27-25(33)26-20-9-11-21(12-10-20)28-13-15-29(16-14-28)23(30)4-2/h6-12,18H,3-5,13-17H2,1-2H3,(H2,26,27,31,33)