N-[2-[bis(prop-2-enyl)amino]-4-ethylsulfanyl-cyclopentyl]-N-ethyl-4-nitro-benzamide

Systemtic Name: N-[2-[bis(prop-2-enyl)amino]-4-ethylsulfanyl-cyclopentyl]-N-ethyl-4-nitro-benzamide Openeye Name: N-[2-(diallylamino)-4-ethylsulfanyl-cyclopentyl]-N-ethyl-4-nitro-benzamide CAS Name: N-[2-[bis(prop-2-enyl)amino]-4-(ethylthio)cyclopentyl]-N-ethyl-4-nitrobenzamide IUPAC Name: N-[2-[bis(prop-2-enyl)amino]-4-ethylsulfanylcyclopentyl]-N-ethyl-4-nitrobenzamide Traditional Name: N-[2-(diallylamino)-4-(ethylthio)cyclopentyl]-N-ethyl-4-nitro-benzamide Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CC(CC1N(CC=C)CC=C)SCC)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(C1CC(CC1N(CC=C)CC=C)SCC)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H31N3O3S/c1-5-13-23(14-6-2)20-15-19(29-8-4)16-21(20)24(7-3)22(26)17-9-11-18(12-10-17)25(27)28/h5-6,9-12,19-21H,1-2,7-8,13-16H2,3-4H3