N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioylnaphthalene-2-carboxamide

Systemtic Name: N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioylnaphthalene-2-carboxamide Openeye Name: N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]naphthalene-2-carboxamide CAS Name: N-[[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]naphthalene-2-carboxamide Traditional Name: N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]-2-naphthamide Formula: C26H27N5O4S MolecularWeight: 505.58868

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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=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=S)NC(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C26H27N5O4S/c32-25(21-6-5-19-3-1-2-4-20(19)17-21)27-26(36)30-11-9-28(10-12-30)22-7-8-23(31(33)34)24(18-22)29-13-15-35-16-14-29/h1-8,17-18H,9-16H2,(H,27,32,36)