4-[2-[1-(1-adamantyl)propylamino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[1-(1-adamantyl)propylamino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[1-(1-adamantyl)propylamino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[1-(1-adamantyl)propylamino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[1-(1-adamantyl)propylamino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[1-(1-adamantyl)propylamino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O4S/c1-2-19(22-9-13-5-14(10-22)7-15(6-13)11-22)24-20(26)12-30-18-4-3-16(21(23)27)8-17(18)25(28)29/h3-4,8,13-15,19H,2,5-7,9-12H2,1H3,(H2,23,27)(H,24,26)