4-[2-[4-(1-adamantylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[4-(1-adamantylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[4-(adamantane-1-carbonyl)piperazino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C24H30N4O5S MolecularWeight: 486.5838

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H30N4O5S/c25-22(30)18-1-2-20(19(10-18)28(32)33)34-14-21(29)26-3-5-27(6-4-26)23(31)24-11-15-7-16(12-24)9-17(8-15)13-24/h1-2,10,15-17H,3-9,11-14H2,(H2,25,30)