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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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