N-[1-(3-cyclohexylpropylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide

Systemtic Name: N-[1-(3-cyclohexylpropylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: N-[1-(3-cyclohexylpropylcarbamoyl)-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: N-[1-(3-cyclohexylpropylamino)-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: N-[1-(3-cyclohexylpropylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: N-[1-(3-cyclohexylpropylcarbamoyl)-3-(methylthio)propyl]-3-nitro-benzamide Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCCCC1CCCCC1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CSCCC(C(=O)NCCCC1CCCCC1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H31N3O4S/c1-29-14-12-19(21(26)22-13-6-9-16-7-3-2-4-8-16)23-20(25)17-10-5-11-18(15-17)24(27)28/h5,10-11,15-16,19H,2-4,6-9,12-14H2,1H3,(H,22,26)(H,23,25)