N-[2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]-2-propyl-pentanamide

Systemtic Name: N-[2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]-2-propyl-pentanamide Openeye Name: N-[2-[2-(cyclopropylamino)-2-oxo-ethyl]sulfanyl-4-phenyl-thiazol-5-yl]-2-propyl-pentanamide CAS Name: N-[2-[[2-(cyclopropylamino)-2-oxoethyl]thio]-4-phenyl-5-thiazolyl]-2-propylpentanamide IUPAC Name: N-[2-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]-2-propylpentanamide Traditional Name: N-[2-[[2-(cyclopropylamino)-2-keto-ethyl]thio]-4-phenyl-thiazol-5-yl]-2-propyl-valeramide Formula: C22H29N3O2S2 MolecularWeight: 431.61456

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)NC1=C(N=C(S1)SCC(=O)NC2CC2)C3=CC=CC=C3

Isomeric SMILES

CCCC(CCC)C(=O)NC1=C(N=C(S1)SCC(=O)NC2CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O2S2/c1-3-8-16(9-4-2)20(27)25-21-19(15-10-6-5-7-11-15)24-22(29-21)28-14-18(26)23-17-12-13-17/h5-7,10-11,16-17H,3-4,8-9,12-14H2,1-2H3,(H,23,26)(H,25,27)