ethyl 2-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 2-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]carbonylamino]benzoate Openeye Name: ethyl 2-[[4-(3-thienylmethyl)-1,4-diazepane-1-carbonyl]amino]benzoate CAS Name: 2-[[oxo-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbonyl]amino]benzoate Traditional Name: 2-[[4-(3-thenyl)-1,4-diazepane-1-carbonyl]amino]benzoic acid ethyl ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)N2CCCN(CC2)CC3=CSC=C3

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)N2CCCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C20H25N3O3S/c1-2-26-19(24)17-6-3-4-7-18(17)21-20(25)23-10-5-9-22(11-12-23)14-16-8-13-27-15-16/h3-4,6-8,13,15H,2,5,9-12,14H2,1H3,(H,21,25)