N-[3-[1-(naphthalen-1-ylamino)-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-4-nitro-benzamide

Systemtic Name: N-[3-[1-(naphthalen-1-ylamino)-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-4-nitro-benzamide Openeye Name: N-[3-[1-(1-naphthylcarbamoyl)propylsulfanyl]phenyl]-4-nitro-benzamide CAS Name: N-[3-[[1-(1-naphthalenylamino)-1-oxobutan-2-yl]thio]phenyl]-4-nitrobenzamide IUPAC Name: N-[3-[1-(naphthalen-1-ylamino)-1-oxobutan-2-yl]sulfanylphenyl]-4-nitrobenzamide Traditional Name: N-[3-[1-(1-naphthylcarbamoyl)propylthio]phenyl]-4-nitro-benzamide Formula: C27H23N3O4S MolecularWeight: 485.55422

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=CC=CC(=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=CC=CC(=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H23N3O4S/c1-2-25(27(32)29-24-12-5-8-18-7-3-4-11-23(18)24)35-22-10-6-9-20(17-22)28-26(31)19-13-15-21(16-14-19)30(33)34/h3-17,25H,2H2,1H3,(H,28,31)(H,29,32)