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

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-[(4-methoxyphenyl)-(1-methyl-2-imidazolyl)methyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propionamide Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=C(C=C2)OC)NC(=O)CCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1C=CN=C1C(C2=CC=C(C=C2)OC)NC(=O)CCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N4O2S2/c1-26-13-12-23-21(26)20(15-7-9-16(28-2)10-8-15)25-19(27)11-14-29-22-24-17-5-3-4-6-18(17)30-22/h3-10,12-13,20H,11,14H2,1-2H3,(H,25,27)