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

Systemtic Name: N-[[4-[5-(4-chloranylphenoxy)pentoxy]-2,3-dihydroindol-1-yl]carbothioyl]-3-nitro-benzamide Openeye Name: N-[4-[5-(4-chlorophenoxy)pentoxy]indoline-1-carbothioyl]-3-nitro-benzamide CAS Name: N-[[4-[5-(4-chlorophenoxy)pentoxy]-2,3-dihydroindol-1-yl]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[4-[5-(4-chlorophenoxy)pentoxy]-2,3-dihydroindole-1-carbothioyl]-3-nitrobenzamide Traditional Name: N-[4-[5-(4-chlorophenoxy)pentoxy]indoline-1-carbothioyl]-3-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/c28-20-10-12-22(13-11-20)35-16-2-1-3-17-36-25-9-5-8-24-23(25)14-15-30(24)27(37)29-26(32)19-6-4-7-21(18-19)31(33)34/h4-13,18H,1-3,14-17H2,(H,29,32,37)