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

Systemtic Name: N-[3-[1-[(4-butoxyphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-4-nitro-benzamide Openeye Name: N-[3-[1-[(4-butoxyphenyl)carbamoyl]propylsulfanyl]phenyl]-4-nitro-benzamide CAS Name: N-[3-[[1-(4-butoxyanilino)-1-oxobutan-2-yl]thio]phenyl]-4-nitrobenzamide IUPAC Name: N-[3-[1-(4-butoxyanilino)-1-oxobutan-2-yl]sulfanylphenyl]-4-nitrobenzamide Traditional Name: N-[3-[1-[(4-butoxyphenyl)carbamoyl]propylthio]phenyl]-4-nitro-benzamide Formula: C27H29N3O5S MolecularWeight: 507.60126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)C(CC)SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)C(CC)SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H29N3O5S/c1-3-5-17-35-23-15-11-20(12-16-23)28-27(32)25(4-2)36-24-8-6-7-21(18-24)29-26(31)19-9-13-22(14-10-19)30(33)34/h6-16,18,25H,3-5,17H2,1-2H3,(H,28,32)(H,29,31)