N-[[5-chloranyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-2-carboxamide

Systemtic Name: N-[[5-chloranyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: N-[[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-2-carboxamide CAS Name: N-[[5-chloro-2-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: N-[[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: N-[[5-chloro-2-(4-isovalerylpiperazino)phenyl]thiocarbamoyl]-2-naphthamide Formula: C27H29ClN4O2S MolecularWeight: 509.06276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H29ClN4O2S/c1-18(2)15-25(33)32-13-11-31(12-14-32)24-10-9-22(28)17-23(24)29-27(35)30-26(34)21-8-7-19-5-3-4-6-20(19)16-21/h3-10,16-18H,11-15H2,1-2H3,(H2,29,30,34,35)