3-[3-[2,5-bis(oxidanylidene)pyrrol-3-yl]-2-naphthalen-2-yl-indol-1-yl]propyl carbamimidothioate

Systemtic Name: 3-[3-[2,5-bis(oxidanylidene)pyrrol-3-yl]-2-naphthalen-2-yl-indol-1-yl]propyl carbamimidothioate Openeye Name: 2-[3-[3-(2,5-dioxopyrrol-3-yl)-2-(2-naphthyl)indol-1-yl]propyl]isothiourea CAS Name: carbamimidothioic acid 3-[3-(2,5-dioxo-3-pyrrolyl)-2-(2-naphthalenyl)-1-indolyl]propyl ester IUPAC Name: 3-[3-(2,5-dioxopyrrol-3-yl)-2-naphthalen-2-ylindol-1-yl]propyl carbamimidothioate Traditional Name: 2-[3-[3-(2,5-diketo-3-pyrrolin-3-yl)-2-(2-naphthyl)indol-1-yl]propyl]isothiourea Formula: C26H22N4O2S MolecularWeight: 454.54348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C3=C(C4=CC=CC=C4N3CCCSC(=N)N)C5=CC(=O)NC5=O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C3=C(C4=CC=CC=C4N3CCCSC(=N)N)C5=CC(=O)NC5=O

InChI

InChI=1S/C26H22N4O2S/c27-26(28)33-13-5-12-30-21-9-4-3-8-19(21)23(20-15-22(31)29-25(20)32)24(30)18-11-10-16-6-1-2-7-17(16)14-18/h1-4,6-11,14-15H,5,12-13H2,(H3,27,28)(H,29,31,32)