3-[3-(4-ethanoylpiperazin-1-yl)-2-[(3-ethoxy-1-benzothiophen-2-yl)methylsulfamoylamino]-3-oxidanylidene-propyl]benzenecarboximidamide

Systemtic Name: 3-[3-(4-ethanoylpiperazin-1-yl)-2-[(3-ethoxy-1-benzothiophen-2-yl)methylsulfamoylamino]-3-oxidanylidene-propyl]benzenecarboximidamide Openeye Name: 3-[3-(4-acetylpiperazin-1-yl)-2-[(3-ethoxybenzothiophen-2-yl)methylsulfamoylamino]-3-oxo-propyl]benzamidine CAS Name: 3-[3-(4-acetyl-1-piperazinyl)-2-[(3-ethoxy-1-benzothiophen-2-yl)methylsulfamoylamino]-3-oxopropyl]benzenecarboximidamide IUPAC Name: 3-[3-(4-acetylpiperazin-1-yl)-2-[(3-ethoxy-1-benzothiophen-2-yl)methylsulfamoylamino]-3-oxopropyl]benzenecarboximidamide Traditional Name: 3-[3-(4-acetylpiperazino)-2-[(3-ethoxybenzothiophen-2-yl)methylsulfamoylamino]-3-keto-propyl]benzamidine Formula: C27H34N6O5S2 MolecularWeight: 586.72606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(SC2=CC=CC=C21)CNS(=O)(=O)NC(CC3=CC=CC(=C3)C(=N)N)C(=O)N4CCN(CC4)C(=O)C

Isomeric SMILES

CCOC1=C(SC2=CC=CC=C21)CNS(=O)(=O)NC(CC3=CC=CC(=C3)C(=N)N)C(=O)N4CCN(CC4)C(=O)C

InChI

InChI=1S/C27H34N6O5S2/c1-3-38-25-21-9-4-5-10-23(21)39-24(25)17-30-40(36,37)31-22(16-19-7-6-8-20(15-19)26(28)29)27(35)33-13-11-32(12-14-33)18(2)34/h4-10,15,22,30-31H,3,11-14,16-17H2,1-2H3,(H3,28,29)