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

Systemtic Name: N-[2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]cyclohexanecarboxamide Openeye Name: N-[2-[2-(cyclopropylamino)-2-oxo-ethyl]sulfanyl-4-phenyl-thiazol-5-yl]cyclohexanecarboxamide CAS Name: N-[2-[[2-(cyclopropylamino)-2-oxoethyl]thio]-4-phenyl-5-thiazolyl]cyclohexanecarboxamide IUPAC Name: N-[2-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]cyclohexanecarboxamide Traditional Name: N-[2-[[2-(cyclopropylamino)-2-keto-ethyl]thio]-4-phenyl-thiazol-5-yl]cyclohexanecarboxamide Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=C(N=C(S2)SCC(=O)NC3CC3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=C(N=C(S2)SCC(=O)NC3CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H25N3O2S2/c25-17(22-16-11-12-16)13-27-21-23-18(14-7-3-1-4-8-14)20(28-21)24-19(26)15-9-5-2-6-10-15/h1,3-4,7-8,15-16H,2,5-6,9-13H2,(H,22,25)(H,24,26)