4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylideneamino]benzamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylideneamino]benzamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)methyleneamino]benzamide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[[2,5-dimethyl-1-(2-methylpropyl)-3-pyrrolyl]methylideneamino]benzamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylideneamino]benzamide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)methyleneamino]benzamide Formula: C26H28N4OS2 MolecularWeight: 476.65672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC(C)C)C)C=NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(N1CC(C)C)C)C=NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C26H28N4OS2/c1-17(2)15-30-18(3)13-22(19(30)4)14-27-29-25(31)21-11-9-20(10-12-21)16-32-26-28-23-7-5-6-8-24(23)33-26/h5-14,17H,15-16H2,1-4H3,(H,29,31)