(2R)-N-(1-adamantyl)-2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]propanamide

Systemtic Name: (2R)-N-(1-adamantyl)-2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]propanamide Openeye Name: (2R)-N-(1-adamantyl)-2-[2-(2-amino-2-oxo-ethyl)sulfanylanilino]propanamide CAS Name: (2R)-N-(1-adamantyl)-2-[2-[(2-amino-2-oxoethyl)thio]anilino]propanamide IUPAC Name: (2R)-N-(1-adamantyl)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]propanamide Traditional Name: (2R)-N-(1-adamantyl)-2-[2-[(2-amino-2-keto-ethyl)thio]anilino]propionamide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)NC4=CC=CC=C4SCC(=O)N

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)NC4=CC=CC=C4SCC(=O)N

InChI

InChI=1S/C21H29N3O2S/c1-13(23-17-4-2-3-5-18(17)27-12-19(22)25)20(26)24-21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,13-16,23H,6-12H2,1H3,(H2,22,25)(H,24,26)/t13-,14?,15?,16?,21?/m1/s1