N-[2-[bis(prop-2-enyl)amino]-3-sulfanyl-cyclopentyl]-N-ethyl-4-nitro-benzamide

Systemtic Name: N-[2-[bis(prop-2-enyl)amino]-3-sulfanyl-cyclopentyl]-N-ethyl-4-nitro-benzamide Openeye Name: N-[2-(diallylamino)-3-sulfanyl-cyclopentyl]-N-ethyl-4-nitro-benzamide CAS Name: N-[2-[bis(prop-2-enyl)amino]-3-mercaptocyclopentyl]-N-ethyl-4-nitrobenzamide IUPAC Name: N-[2-[bis(prop-2-enyl)amino]-3-sulfanylcyclopentyl]-N-ethyl-4-nitrobenzamide Traditional Name: N-[2-(diallylamino)-3-mercapto-cyclopentyl]-N-ethyl-4-nitro-benzamide Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCC(C1N(CC=C)CC=C)S)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(C1CCC(C1N(CC=C)CC=C)S)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O3S/c1-4-13-21(14-5-2)19-17(11-12-18(19)27)22(6-3)20(24)15-7-9-16(10-8-15)23(25)26/h4-5,7-10,17-19,27H,1-2,6,11-14H2,3H3