3-[8-[4-(6H-[1,3]dioxolo[4,5-e]indol-8-yl)-2,5-bis(oxidanylidene)pyrrol-3-yl]-[1,3]dioxolo[4,5-e]indol-6-yl]propyl carbamimidothioate

Systemtic Name: 3-[8-[4-(6H-[1,3]dioxolo[4,5-e]indol-8-yl)-2,5-bis(oxidanylidene)pyrrol-3-yl]-[1,3]dioxolo[4,5-e]indol-6-yl]propyl carbamimidothioate Openeye Name: 2-[3-[8-[4-(6H-[1,3]dioxolo[4,5-e]indol-8-yl)-2,5-dioxo-pyrrol-3-yl]-[1,3]dioxolo[4,5-e]indol-6-yl]propyl]isothiourea CAS Name: carbamimidothioic acid 3-[8-[4-(6H-[1,3]dioxolo[4,5-e]indol-8-yl)-2,5-dioxo-3-pyrrolyl]-[1,3]dioxolo[4,5-e]indol-6-yl]propyl ester IUPAC Name: 3-[8-[4-(6H-[1,3]dioxolo[4,5-e]indol-8-yl)-2,5-dioxopyrrol-3-yl]-[1,3]dioxolo[4,5-e]indol-6-yl]propyl carbamimidothioate Traditional Name: 2-[3-[8-[4-(6H-[1,3]dioxol[4,5-e]indol-8-yl)-2,5-diketo-3-pyrrolin-3-yl]-[1,3]dioxol[4,5-e]indol-6-yl]propyl]isothiourea Formula: C26H21N5O6S MolecularWeight: 531.53984

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C3=C(C=C2)NC=C3C4=C(C(=O)NC4=O)C5=CN(C6=C5C7=C(C=C6)OCO7)CCCSC(=N)N

Isomeric SMILES

C1OC2=C(O1)C3=C(C=C2)NC=C3C4=C(C(=O)NC4=O)C5=CN(C6=C5C7=C(C=C6)OCO7)CCCSC(=N)N

InChI

InChI=1S/C26H21N5O6S/c27-26(28)38-7-1-6-31-9-13(19-15(31)3-5-17-23(19)37-11-35-17)21-20(24(32)30-25(21)33)12-8-29-14-2-4-16-22(18(12)14)36-10-34-16/h2-5,8-9,29H,1,6-7,10-11H2,(H3,27,28)(H,30,32,33)