3-butoxy-N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzamide

Systemtic Name: 3-butoxy-N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzamide Openeye Name: 3-butoxy-N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzamide CAS Name: 3-butoxy-N-[5-methoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]benzamide IUPAC Name: 3-butoxy-N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzamide Traditional Name: 3-butoxy-N-[5-methoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]benzamide Formula: C22H26N2O3S2 MolecularWeight: 430.58344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=CC(=C3)OC)CCSC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=CC(=C3)OC)CCSC

InChI

InChI=1S/C22H26N2O3S2/c1-4-5-12-27-18-8-6-7-16(14-18)21(25)23-22-24(11-13-28-3)19-15-17(26-2)9-10-20(19)29-22/h6-10,14-15H,4-5,11-13H2,1-3H3