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

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-butoxy-benzamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-butoxy-benzamide CAS Name: 3-butoxy-N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-butoxybenzamide Traditional Name: 3-butoxy-N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C26H34N4O3S MolecularWeight: 482.63816

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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)CCC

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4O3S/c1-3-5-18-33-23-9-6-8-20(19-23)25(32)28-26(34)27-21-10-12-22(13-11-21)29-14-16-30(17-15-29)24(31)7-4-2/h6,8-13,19H,3-5,7,14-18H2,1-2H3,(H2,27,28,32,34)