4-[[2-[(4-thiophen-2-yl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]ethanoylamino]methyl]benzoate

Systemtic Name: 4-[[2-[(4-thiophen-2-yl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]ethanoylamino]methyl]benzoate Openeye Name: 4-[[[2-[[4-(2-thienyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-[(4-thiophen-2-yl-5,6,7,8-tetrahydroquinazolin-2-yl)thio]ethyl]amino]methyl]benzoate IUPAC Name: 4-[[[2-[(4-thiophen-2-yl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[[4-(2-thienyl)-5,6,7,8-tetrahydroquinazolin-2-yl]thio]acetyl]amino]methyl]benzoate Formula: C22H20N3O3S2- MolecularWeight: 438.5425

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC(=NC(=C2C1)C3=CC=CS3)SCC(=O)NCC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1CCC2=NC(=NC(=C2C1)C3=CC=CS3)SCC(=O)NCC4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C22H21N3O3S2/c26-19(23-12-14-7-9-15(10-8-14)21(27)28)13-30-22-24-17-5-2-1-4-16(17)20(25-22)18-6-3-11-29-18/h3,6-11H,1-2,4-5,12-13H2,(H,23,26)(H,27,28)/p-1