2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-benzamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-benzamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-benzamide CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-N-[[4-[(cyclopropylamino)-oxomethyl]phenyl]methyl]-N-methylbenzamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methylbenzamide Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-N-[4-(cyclopropylcarbamoyl)benzyl]-N-methyl-benzamide Formula: C27H25N3O2S2 MolecularWeight: 487.6363

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)NC2CC2)C(=O)C3=CC=CC=C3CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)NC2CC2)C(=O)C3=CC=CC=C3CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H25N3O2S2/c1-30(16-18-10-12-19(13-11-18)25(31)28-21-14-15-21)26(32)22-7-3-2-6-20(22)17-33-27-29-23-8-4-5-9-24(23)34-27/h2-13,21H,14-17H2,1H3,(H,28,31)