3-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-cyclopropyl-N-p-anisyl-propionamide Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(C2CC2)C(=O)CCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)CN(C2CC2)C(=O)CCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2O2S2/c1-25-17-10-6-15(7-11-17)14-23(16-8-9-16)20(24)12-13-26-21-22-18-4-2-3-5-19(18)27-21/h2-7,10-11,16H,8-9,12-14H2,1H3