(2-sulfanylidenepyridin-1-yl) 4-[5-(acridin-9-ylamino)pentanoylamino]benzoate

Systemtic Name: (2-sulfanylidenepyridin-1-yl) 4-[5-(acridin-9-ylamino)pentanoylamino]benzoate Openeye Name: (2-thioxo-1-pyridyl) 4-[5-(acridin-9-ylamino)pentanoylamino]benzoate CAS Name: 4-[[5-(9-acridinylamino)-1-oxopentyl]amino]benzoic acid (2-sulfanylidene-1-pyridinyl) ester IUPAC Name: (2-sulfanylidenepyridin-1-yl) 4-[5-(acridin-9-ylamino)pentanoylamino]benzoate Traditional Name: 4-[5-(acridin-9-ylamino)pentanoylamino]benzoic acid (2-thioxo-1-pyridyl) ester Formula: C30H26N4O3S MolecularWeight: 522.61744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCCC(=O)NC4=CC=C(C=C4)C(=O)ON5C=CC=CC5=S

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCCC(=O)NC4=CC=C(C=C4)C(=O)ON5C=CC=CC5=S

InChI

InChI=1S/C30H26N4O3S/c35-27(32-22-17-15-21(16-18-22)30(36)37-34-20-8-6-14-28(34)38)13-5-7-19-31-29-23-9-1-3-11-25(23)33-26-12-4-2-10-24(26)29/h1-4,6,8-12,14-18,20H,5,7,13,19H2,(H,31,33)(H,32,35)