propyl 4-[[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]amino]benzoate

Systemtic Name: propyl 4-[[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]amino]benzoate Openeye Name: propyl 4-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzoate CAS Name: 4-[[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzoate Traditional Name: 4-[[2-keto-2-[4-(2-thenoyl)piperazino]ethyl]amino]benzoic acid propyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H25N3O4S/c1-2-13-28-21(27)16-5-7-17(8-6-16)22-15-19(25)23-9-11-24(12-10-23)20(26)18-4-3-14-29-18/h3-8,14,22H,2,9-13,15H2,1H3