N-[[4-[5-(4-chloranylphenoxy)pentoxy]-2,3-dihydroindol-1-yl]carbothioyl]-4-cyano-benzamide

Systemtic Name: N-[[4-[5-(4-chloranylphenoxy)pentoxy]-2,3-dihydroindol-1-yl]carbothioyl]-4-cyano-benzamide Openeye Name: N-[4-[5-(4-chlorophenoxy)pentoxy]indoline-1-carbothioyl]-4-cyano-benzamide CAS Name: N-[[4-[5-(4-chlorophenoxy)pentoxy]-2,3-dihydroindol-1-yl]-sulfanylidenemethyl]-4-cyanobenzamide IUPAC Name: N-[4-[5-(4-chlorophenoxy)pentoxy]-2,3-dihydroindole-1-carbothioyl]-4-cyanobenzamide Traditional Name: N-[4-[5-(4-chlorophenoxy)pentoxy]indoline-1-carbothioyl]-4-cyano-benzamide Formula: C28H26ClN3O3S MolecularWeight: 520.04234

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C(=CC=C2)OCCCCCOC3=CC=C(C=C3)Cl)C(=S)NC(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(C2=C1C(=CC=C2)OCCCCCOC3=CC=C(C=C3)Cl)C(=S)NC(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C28H26ClN3O3S/c29-22-11-13-23(14-12-22)34-17-2-1-3-18-35-26-6-4-5-25-24(26)15-16-32(25)28(36)31-27(33)21-9-7-20(19-30)8-10-21/h4-14H,1-3,15-18H2,(H,31,33,36)