4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-(3-methyl-2-thienyl)methyleneamino]benzamide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[(E)-(3-methyl-2-thiophenyl)methylideneamino]benzamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzamide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[(E)-(3-methyl-2-thienyl)methyleneamino]benzamide Formula: C21H17N3OS3 MolecularWeight: 423.57418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(SC=C1)/C=N/NC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H17N3OS3/c1-14-10-11-26-19(14)12-22-24-20(25)16-8-6-15(7-9-16)13-27-21-23-17-4-2-3-5-18(17)28-21/h2-12H,13H2,1H3,(H,24,25)/b22-12+