4-[1-(3-azanylpropyl)indol-3-yl]-3-(1-benzothiophen-3-yl)-2-oxidanylidene-1H-imidazole-5-carboxamide; ethanoic acid

Systemtic Name: 4-[1-(3-azanylpropyl)indol-3-yl]-3-(1-benzothiophen-3-yl)-2-oxidanylidene-1H-imidazole-5-carboxamide; ethanoic acid Openeye Name: acetic acid; 4-[1-(3-aminopropyl)indol-3-yl]-3-(benzothiophen-3-yl)-2-oxo-1H-imidazole-5-carboxamide CAS Name: acetic acid; 4-[1-(3-aminopropyl)-3-indolyl]-3-(1-benzothiophen-3-yl)-2-oxo-1H-imidazole-5-carboxamide IUPAC Name: acetic acid; 4-[1-(3-aminopropyl)indol-3-yl]-3-(1-benzothiophen-3-yl)-2-oxo-1H-imidazole-5-carboxamide Traditional Name: acetic acid; 5-[1-(3-aminopropyl)indol-3-yl]-1-(benzothiophen-3-yl)-2-keto-4-imidazoline-4-carboxamide Formula: C25H25N5O4S MolecularWeight: 491.5621

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=C2C(=C1)C(=CN2CCCN)C3=C(NC(=O)N3C4=CSC5=CC=CC=C54)C(=O)N

Isomeric SMILES

CC(=O)O.C1=CC=C2C(=C1)C(=CN2CCCN)C3=C(NC(=O)N3C4=CSC5=CC=CC=C54)C(=O)N

InChI

InChI=1S/C23H21N5O2S.C2H4O2/c24-10-5-11-27-12-16(14-6-1-3-8-17(14)27)21-20(22(25)29)26-23(30)28(21)18-13-31-19-9-4-2-7-15(18)19;1-2(3)4/h1-4,6-9,12-13H,5,10-11,24H2,(H2,25,29)(H,26,30);1H3,(H,3,4)