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

Systemtic Name: 3-[3-[4-(1H-indol-3-yl)-2,5-bis(oxidanylidene)pyrrol-3-yl]-5-methoxy-indol-1-yl]propyl carbamimidothioate Openeye Name: 2-[3-[3-[4-(1H-indol-3-yl)-2,5-dioxo-pyrrol-3-yl]-5-methoxy-indol-1-yl]propyl]isothiourea CAS Name: carbamimidothioic acid 3-[3-[4-(1H-indol-3-yl)-2,5-dioxo-3-pyrrolyl]-5-methoxy-1-indolyl]propyl ester IUPAC Name: 3-[3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-5-methoxyindol-1-yl]propyl carbamimidothioate Traditional Name: 2-[3-[3-[4-(1H-indol-3-yl)-2,5-diketo-3-pyrrolin-3-yl]-5-methoxy-indol-1-yl]propyl]isothiourea Formula: C25H23N5O3S MolecularWeight: 473.54682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54)CCCSC(=N)N

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54)CCCSC(=N)N

InChI

InChI=1S/C25H23N5O3S/c1-33-14-7-8-20-16(11-14)18(13-30(20)9-4-10-34-25(26)27)22-21(23(31)29-24(22)32)17-12-28-19-6-3-2-5-15(17)19/h2-3,5-8,11-13,28H,4,9-10H2,1H3,(H3,26,27)(H,29,31,32)