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

Systemtic Name: 3-[3-[4-indol-1-yl-2,5-bis(oxidanylidene)pyrrol-3-yl]-5-phenylmethoxy-indol-1-yl]propyl carbamimidothioate Openeye Name: 2-[3-[5-benzyloxy-3-(4-indol-1-yl-2,5-dioxo-pyrrol-3-yl)indol-1-yl]propyl]isothiourea CAS Name: carbamimidothioic acid 3-[3-[4-(1-indolyl)-2,5-dioxo-3-pyrrolyl]-5-phenylmethoxy-1-indolyl]propyl ester IUPAC Name: 3-[3-(4-indol-1-yl-2,5-dioxopyrrol-3-yl)-5-phenylmethoxyindol-1-yl]propyl carbamimidothioate Traditional Name: 2-[3-[5-benzoxy-3-(4-indol-1-yl-2,5-diketo-3-pyrrolin-3-yl)indol-1-yl]propyl]isothiourea Formula: C31H27N5O3S MolecularWeight: 549.64278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C=C3C4=C(C(=O)NC4=O)N5C=CC6=CC=CC=C65)CCCSC(=N)N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C=C3C4=C(C(=O)NC4=O)N5C=CC6=CC=CC=C65)CCCSC(=N)N

InChI

InChI=1S/C31H27N5O3S/c32-31(33)40-16-6-14-35-18-24(23-17-22(11-12-26(23)35)39-19-20-7-2-1-3-8-20)27-28(30(38)34-29(27)37)36-15-13-21-9-4-5-10-25(21)36/h1-5,7-13,15,17-18H,6,14,16,19H2,(H3,32,33)(H,34,37,38)