N-[[4-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: N-[[4-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[4-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[[4-[4-(4-chlorobenzoyl)piperazino]phenyl]thiocarbamoyl]-1-naphthamide Formula: C29H25ClN4O2S MolecularWeight: 529.0524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43)C(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43)C(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H25ClN4O2S/c30-22-10-8-21(9-11-22)28(36)34-18-16-33(17-19-34)24-14-12-23(13-15-24)31-29(37)32-27(35)26-7-3-5-20-4-1-2-6-25(20)26/h1-15H,16-19H2,(H2,31,32,35,37)