[(4S)-4-[(2-benzamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]pentyl]-diethyl-azanium

Systemtic Name: [(4S)-4-[(2-benzamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]pentyl]-diethyl-azanium Openeye Name: [(4S)-4-[(2-benzamido-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]pentyl]-diethyl-ammonium CAS Name: [(4S)-4-[[(2-benzamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-oxomethyl]amino]pentyl]-diethylammonium IUPAC Name: [(4S)-4-[(2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]pentyl]-diethylazanium Traditional Name: [(4S)-4-[(2-benzamido-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]pentyl]-diethyl-ammonium Formula: C25H36N3O2S+ MolecularWeight: 442.63724

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)NC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)NC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H35N3O2S/c1-4-28(5-2)17-11-12-18(3)26-24(30)22-20-15-9-10-16-21(20)31-25(22)27-23(29)19-13-7-6-8-14-19/h6-8,13-14,18H,4-5,9-12,15-17H2,1-3H3,(H,26,30)(H,27,29)/p+1/t18-/m0/s1