N-[[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl]carbamothioyl]benzamide

Systemtic Name: N-[[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl]carbamothioyl]benzamide Openeye Name: N-[[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxo-ethyl]carbamothioyl]benzamide CAS Name: N-[[[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]carbamothioyl]benzamide Traditional Name: N-[[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-keto-ethyl]thiocarbamoyl]benzamide Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CNC(=S)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)CNC(=S)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H29N3O2S/c1-14(22-10-15-7-16(11-22)9-17(8-15)12-22)24-19(26)13-23-21(28)25-20(27)18-5-3-2-4-6-18/h2-6,14-17H,7-13H2,1H3,(H,24,26)(H2,23,25,27,28)/t14-,15?,16?,17?,22?/m1/s1