4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(3-methylbutyl)benzamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(3-methylbutyl)benzamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-isopentyl-benzamide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-(3-methylbutyl)benzamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(3-methylbutyl)benzamide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-isoamyl-benzamide Formula: C20H22N2OS2 MolecularWeight: 370.53148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)CCNC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H22N2OS2/c1-14(2)11-12-21-19(23)16-9-7-15(8-10-16)13-24-20-22-17-5-3-4-6-18(17)25-20/h3-10,14H,11-13H2,1-2H3,(H,21,23)