3-[3-[4-naphthalen-1-yl-2,5-bis(oxidanylidene)pyrrol-3-yl]indol-1-yl]propyl carbamimidothioate

Systemtic Name: 3-[3-[4-naphthalen-1-yl-2,5-bis(oxidanylidene)pyrrol-3-yl]indol-1-yl]propyl carbamimidothioate Openeye Name: 2-[3-[3-[4-(1-naphthyl)-2,5-dioxo-pyrrol-3-yl]indol-1-yl]propyl]isothiourea CAS Name: carbamimidothioic acid 3-[3-[4-(1-naphthalenyl)-2,5-dioxo-3-pyrrolyl]-1-indolyl]propyl ester IUPAC Name: 3-[3-(4-naphthalen-1-yl-2,5-dioxopyrrol-3-yl)indol-1-yl]propyl carbamimidothioate Traditional Name: 2-[3-[3-[2,5-diketo-4-(1-naphthyl)-3-pyrrolin-3-yl]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(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCSC(=N)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCSC(=N)N

InChI

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