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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCCSC(=N)N

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCCSC(=N)N

InChI

InChI=1S/C26H25N5O2S/c1-30-14-18(16-8-2-4-10-20(16)30)22-23(25(33)29-24(22)32)19-15-31(12-6-7-13-34-26(27)28)21-11-5-3-9-17(19)21/h2-5,8-11,14-15H,6-7,12-13H2,1H3,(H3,27,28)(H,29,32,33)