butyl 4-[2-[(4-oxidanylidene-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[(4-oxidanylidene-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[(4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)thio]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-keto-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C3=C(N2)CCCC3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C3=C(N2)CCCC3

InChI

InChI=1S/C21H25N3O4S/c1-2-3-12-28-20(27)14-8-10-15(11-9-14)22-18(25)13-29-21-23-17-7-5-4-6-16(17)19(26)24-21/h8-11H,2-7,12-13H2,1H3,(H,22,25)(H,23,24,26)