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

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

Systemtic Name:3-[3-[2,5-bis(oxidanylidene)pyrrol-3-yl]indol-1-yl]propyl carbamimidothioate
Openeye Name:2-[3-[3-(2,5-dioxopyrrol-3-yl)indol-1-yl]propyl]isothiourea
CAS Name:carbamimidothioic acid 3-[3-(2,5-dioxo-3-pyrrolyl)-1-indolyl]propyl ester
IUPAC Name:3-[3-(2,5-dioxopyrrol-3-yl)indol-1-yl]propyl carbamimidothioate
Traditional Name:2-[3-[3-(2,5-diketo-3-pyrrolin-3-yl)indol-1-yl]propyl]isothiourea
Formula: C16H16N4O2S
MolecularWeight: 328.38884
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCCSC(=N)N)C3=CC(=O)NC3=O


Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCCSC(=N)N)C3=CC(=O)NC3=O


InChI

InChI=1S/C16H16N4O2S/c17-16(18)23-7-3-6-20-9-12(10-4-1-2-5-13(10)20)11-8-14(21)19-15(11)22/h1-2,4-5,8-9H,3,6-7H2,(H3,17,18)(H,19,21,22)


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