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

Systemtic Name: N-[[4-[5-(4-chloranylphenoxy)pentoxy]-2,3-dihydroindol-1-yl]carbothioyl]-2-nitro-benzamide Openeye Name: N-[4-[5-(4-chlorophenoxy)pentoxy]indoline-1-carbothioyl]-2-nitro-benzamide CAS Name: N-[[4-[5-(4-chlorophenoxy)pentoxy]-2,3-dihydroindol-1-yl]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[4-[5-(4-chlorophenoxy)pentoxy]-2,3-dihydroindole-1-carbothioyl]-2-nitrobenzamide Traditional Name: N-[4-[5-(4-chlorophenoxy)pentoxy]indoline-1-carbothioyl]-2-nitro-benzamide Formula: C27H26ClN3O5S MolecularWeight: 540.03044

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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=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(C2=C1C(=CC=C2)OCCCCCOC3=CC=C(C=C3)Cl)C(=S)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C27H26ClN3O5S/c28-19-11-13-20(14-12-19)35-17-4-1-5-18-36-25-10-6-9-23-21(25)15-16-30(23)27(37)29-26(32)22-7-2-3-8-24(22)31(33)34/h2-3,6-14H,1,4-5,15-18H2,(H,29,32,37)