5-bromanyl-N-[[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: 5-bromanyl-N-[[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-bromo-N-[[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-bromo-N-[[4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-bromo-N-[[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-bromo-N-[[4-[4-(2-thenoyl)piperazino]phenyl]thiocarbamoyl]-1-naphthamide Formula: C27H23BrN4O2S2 MolecularWeight: 579.53112

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Br)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Br)C(=O)C5=CC=CS5

InChI

InChI=1S/C27H23BrN4O2S2/c28-23-7-2-4-20-21(23)5-1-6-22(20)25(33)30-27(35)29-18-9-11-19(12-10-18)31-13-15-32(16-14-31)26(34)24-8-3-17-36-24/h1-12,17H,13-16H2,(H2,29,30,33,35)