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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C3=C(C4=CC=CC=C4N3CCCSC(=N)N)C5=CC(=O)NC5=O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=C(C4=CC=CC=C4N3CCCSC(=N)N)C5=CC(=O)NC5=O

InChI

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