N-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-N-(2-pyrazol-1-ylethyl)propanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-N-(2-pyrazol-1-ylethyl)propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-N-(2-pyrazol-1-ylethyl)propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]-N-[2-(1-pyrazolyl)ethyl]propanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-N-(2-pyrazol-1-ylethyl)propanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]-N-(2-pyrazol-1-ylethyl)propionamide Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCC(=O)N(CCN2C=CC=N2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)SCCC(=O)N(CCN2C=CC=N2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N4O2S2/c1-28-17-7-9-18(10-8-17)29-16-11-21(27)26(15-14-25-13-4-12-23-25)22-24-19-5-2-3-6-20(19)30-22/h2-10,12-13H,11,14-16H2,1H3