4-butoxy-N-[[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-butoxy-N-[[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[[4-[4-(2-thenoyl)piperazino]phenyl]thiocarbamoyl]benzamide Formula: C27H30N4O3S2 MolecularWeight: 522.6821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C27H30N4O3S2/c1-2-3-18-34-23-12-6-20(7-13-23)25(32)29-27(35)28-21-8-10-22(11-9-21)30-14-16-31(17-15-30)26(33)24-5-4-19-36-24/h4-13,19H,2-3,14-18H2,1H3,(H2,28,29,32,35)