N-(2-cyanoethyl)-N-cyclohexyl-3-nitro-4-phenylsulfanyl-benzamide

Systemtic Name: N-(2-cyanoethyl)-N-cyclohexyl-3-nitro-4-phenylsulfanyl-benzamide Openeye Name: N-(2-cyanoethyl)-N-cyclohexyl-3-nitro-4-phenylsulfanyl-benzamide CAS Name: N-(2-cyanoethyl)-N-cyclohexyl-3-nitro-4-(phenylthio)benzamide IUPAC Name: N-(2-cyanoethyl)-N-cyclohexyl-3-nitro-4-phenylsulfanylbenzamide Traditional Name: N-(2-cyanoethyl)-N-cyclohexyl-3-nitro-4-(phenylthio)benzamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CCC#N)C(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N(CCC#N)C(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O3S/c23-14-7-15-24(18-8-3-1-4-9-18)22(26)17-12-13-21(20(16-17)25(27)28)29-19-10-5-2-6-11-19/h2,5-6,10-13,16,18H,1,3-4,7-9,15H2