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

Systemtic Name: 3-[5-acetamido-3-[4-(5-acetamido-1H-indol-3-yl)-2,5-bis(oxidanylidene)pyrrol-3-yl]indol-1-yl]propyl carbamimidothioate Openeye Name: N-[3-[4-[5-acetamido-1-(3-carbamimidoylsulfanylpropyl)indol-3-yl]-2,5-dioxo-pyrrol-3-yl]-1H-indol-5-yl]acetamide CAS Name: carbamimidothioic acid 3-[5-acetamido-3-[4-(5-acetamido-1H-indol-3-yl)-2,5-dioxo-3-pyrrolyl]-1-indolyl]propyl ester IUPAC Name: 3-[5-acetamido-3-[4-(5-acetamido-1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl carbamimidothioate Traditional Name: N-[3-[4-[5-acetamido-1-[3-(amidinothio)propyl]indol-3-yl]-2,5-diketo-3-pyrrolin-3-yl]-1H-indol-5-yl]acetamide Formula: C28H27N7O4S MolecularWeight: 557.62348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)NC=C2C3=C(C(=O)NC3=O)C4=CN(C5=C4C=C(C=C5)NC(=O)C)CCCSC(=N)N

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)NC=C2C3=C(C(=O)NC3=O)C4=CN(C5=C4C=C(C=C5)NC(=O)C)CCCSC(=N)N

InChI

InChI=1S/C28H27N7O4S/c1-14(36)32-16-4-6-22-18(10-16)20(12-31-22)24-25(27(39)34-26(24)38)21-13-35(8-3-9-40-28(29)30)23-7-5-17(11-19(21)23)33-15(2)37/h4-7,10-13,31H,3,8-9H2,1-2H3,(H3,29,30)(H,32,36)(H,33,37)(H,34,38,39)