N-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-N-(2-pyrazol-1-ylethyl)propanamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-N-(2-pyrazol-1-ylethyl)propanamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-N-(2-pyrazol-1-ylethyl)propanamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(phenylthio)-N-[2-(1-pyrazolyl)ethyl]propanamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-N-(2-pyrazol-1-ylethyl)propanamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(phenylthio)-N-(2-pyrazol-1-ylethyl)propionamide Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)N(CCN3C=CC=N3)C(=O)CCSC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)N(CCN3C=CC=N3)C(=O)CCSC4=CC=CC=C4

InChI

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