3-[3-(1H-indol-3-yl)indol-1-yl]propyl carbamimidothioate

Systemtic Name: 3-[3-(1H-indol-3-yl)indol-1-yl]propyl carbamimidothioate Openeye Name: 2-[3-[3-(1H-indol-3-yl)indol-1-yl]propyl]isothiourea CAS Name: carbamimidothioic acid 3-[3-(1H-indol-3-yl)-1-indolyl]propyl ester IUPAC Name: 3-[3-(1H-indol-3-yl)indol-1-yl]propyl carbamimidothioate Traditional Name: 2-[3-[3-(1H-indol-3-yl)indol-1-yl]propyl]isothiourea Formula: C20H20N4S MolecularWeight: 348.4646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C3=CN(C4=CC=CC=C43)CCCSC(=N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C3=CN(C4=CC=CC=C43)CCCSC(=N)N

InChI

InChI=1S/C20H20N4S/c21-20(22)25-11-5-10-24-13-17(15-7-2-4-9-19(15)24)16-12-23-18-8-3-1-6-14(16)18/h1-4,6-9,12-13,23H,5,10-11H2,(H3,21,22)