4-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(4-cyclohexylphenoxy)ethyl]butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(4-cyclohexylphenoxy)ethyl]butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(4-cyclohexylphenoxy)ethyl]butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-[2-(4-cyclohexylphenoxy)ethyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(4-cyclohexylphenoxy)ethyl]butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-[2-(4-cyclohexylphenoxy)ethyl]butyramide Formula: C25H30N2O2S2 MolecularWeight: 454.6479

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)OCCNC(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)OCCNC(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H30N2O2S2/c28-24(11-6-18-30-25-27-22-9-4-5-10-23(22)31-25)26-16-17-29-21-14-12-20(13-15-21)19-7-2-1-3-8-19/h4-5,9-10,12-15,19H,1-3,6-8,11,16-18H2,(H,26,28)