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

Systemtic Name: N-(6-butyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-methylsulfanyl-benzamide Openeye Name: N-(3-allyl-6-butyl-1,3-benzothiazol-2-ylidene)-3-methylsulfanyl-benzamide CAS Name: N-(6-butyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-(methylthio)benzamide IUPAC Name: N-(6-butyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-methylsulfanylbenzamide Traditional Name: N-(3-allyl-6-butyl-1,3-benzothiazol-2-ylidene)-3-(methylthio)benzamide Formula: C22H24N2OS2 MolecularWeight: 396.56876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2OS2/c1-4-6-8-16-11-12-19-20(14-16)27-22(24(19)13-5-2)23-21(25)17-9-7-10-18(15-17)26-3/h5,7,9-12,14-15H,2,4,6,8,13H2,1,3H3