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

Systemtic Name: 4-butoxy-N-[[3-chloranyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[3-chloro-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[[3-chloro-4-[4-(2-thenoyl)piperazino]phenyl]thiocarbamoyl]benzamide Formula: C27H29ClN4O3S2 MolecularWeight: 557.12716

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H29ClN4O3S2/c1-2-3-16-35-21-9-6-19(7-10-21)25(33)30-27(36)29-20-8-11-23(22(28)18-20)31-12-14-32(15-13-31)26(34)24-5-4-17-37-24/h4-11,17-18H,2-3,12-16H2,1H3,(H2,29,30,33,36)