5-chloranyl-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-naphthalene-1-carboxamide

Systemtic Name: 5-chloranyl-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-naphthalene-1-carboxamide Openeye Name: 5-chloro-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]naphthalene-1-carboxamide CAS Name: 5-chloro-N-[[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-chloro-N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]naphthalene-1-carboxamide Traditional Name: 5-chloro-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]-1-naphthamide Formula: C26H26ClN5O4S MolecularWeight: 540.03374

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Cl

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Cl

InChI

InChI=1S/C26H26ClN5O4S/c27-22-6-2-3-19-20(22)4-1-5-21(19)25(33)28-26(37)31-11-9-29(10-12-31)18-7-8-23(32(34)35)24(17-18)30-13-15-36-16-14-30/h1-8,17H,9-16H2,(H,28,33,37)