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

Systemtic Name: 3-[5-methyl-3-[4-(5-methyl-1H-indol-3-yl)-2,5-bis(oxidanylidene)pyrrol-3-yl]indol-1-yl]propyl carbamimidothioate Openeye Name: 2-[3-[5-methyl-3-[4-(5-methyl-1H-indol-3-yl)-2,5-dioxo-pyrrol-3-yl]indol-1-yl]propyl]isothiourea CAS Name: carbamimidothioic acid 3-[5-methyl-3-[4-(5-methyl-1H-indol-3-yl)-2,5-dioxo-3-pyrrolyl]-1-indolyl]propyl ester IUPAC Name: 3-[5-methyl-3-[4-(5-methyl-1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl carbamimidothioate Traditional Name: 2-[3-[3-[2,5-diketo-4-(5-methyl-1H-indol-3-yl)-3-pyrrolin-3-yl]-5-methyl-indol-1-yl]propyl]isothiourea Formula: C26H25N5O2S MolecularWeight: 471.574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC=C2C3=C(C(=O)NC3=O)C4=CN(C5=C4C=C(C=C5)C)CCCSC(=N)N

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C2C3=C(C(=O)NC3=O)C4=CN(C5=C4C=C(C=C5)C)CCCSC(=N)N

InChI

InChI=1S/C26H25N5O2S/c1-14-4-6-20-16(10-14)18(12-29-20)22-23(25(33)30-24(22)32)19-13-31(8-3-9-34-26(27)28)21-7-5-15(2)11-17(19)21/h4-7,10-13,29H,3,8-9H2,1-2H3,(H3,27,28)(H,30,32,33)