N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanyl-benzamide

Systemtic Name: N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanyl-benzamide Openeye Name: N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanyl-benzamide CAS Name: N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(methylthio)benzamide IUPAC Name: N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide Traditional Name: N-(6-butyl-3-propargyl-1,3-benzothiazol-2-ylidene)-2-(methylthio)benzamide Formula: C22H22N2OS2 MolecularWeight: 394.55288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3SC)S2)CC#C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3SC)S2)CC#C

InChI

InChI=1S/C22H22N2OS2/c1-4-6-9-16-12-13-18-20(15-16)27-22(24(18)14-5-2)23-21(25)17-10-7-8-11-19(17)26-3/h2,7-8,10-13,15H,4,6,9,14H2,1,3H3