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

Systemtic Name: 3-[5-acetamido-3-[4-(1H-indol-3-yl)-2,5-bis(oxidanylidene)pyrrol-3-yl]indol-1-yl]propyl carbamimidothioate Openeye Name: N-[1-(3-carbamimidoylsulfanylpropyl)-3-[4-(1H-indol-3-yl)-2,5-dioxo-pyrrol-3-yl]indol-5-yl]acetamide CAS Name: carbamimidothioic acid 3-[5-acetamido-3-[4-(1H-indol-3-yl)-2,5-dioxo-3-pyrrolyl]-1-indolyl]propyl ester IUPAC Name: 3-[5-acetamido-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl carbamimidothioate Traditional Name: N-[1-[3-(amidinothio)propyl]-3-[4-(1H-indol-3-yl)-2,5-diketo-3-pyrrolin-3-yl]indol-5-yl]acetamide Formula: C26H24N6O3S MolecularWeight: 500.57216

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C=C2C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54)CCCSC(=N)N

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C=C2C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54)CCCSC(=N)N

InChI

InChI=1S/C26H24N6O3S/c1-14(33)30-15-7-8-21-17(11-15)19(13-32(21)9-4-10-36-26(27)28)23-22(24(34)31-25(23)35)18-12-29-20-6-3-2-5-16(18)20/h2-3,5-8,11-13,29H,4,9-10H2,1H3,(H3,27,28)(H,30,33)(H,31,34,35)