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

Systemtic Name: 3-methoxy-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-naphthalene-2-carboxamide Openeye Name: 3-methoxy-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]naphthalene-2-carboxamide CAS Name: 3-methoxy-N-[[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: 3-methoxy-N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]naphthalene-2-carboxamide Traditional Name: 3-methoxy-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]-2-naphthamide Formula: C27H29N5O5S MolecularWeight: 535.61466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)N3CCN(CC3)C4=CC(=C(C=C4)[N+](=O)[O-])N5CCOCC5

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)N3CCN(CC3)C4=CC(=C(C=C4)[N+](=O)[O-])N5CCOCC5

InChI

InChI=1S/C27H29N5O5S/c1-36-25-17-20-5-3-2-4-19(20)16-22(25)26(33)28-27(38)31-10-8-29(9-11-31)21-6-7-23(32(34)35)24(18-21)30-12-14-37-15-13-30/h2-7,16-18H,8-15H2,1H3,(H,28,33,38)