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

Systemtic Name: 4-[2-[(4-oxidanylidene-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: 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]benzoate IUPAC Name: 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]benzoate Formula: C17H16N3O4S- MolecularWeight: 358.39164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=O)N=C(N2)SCC(=O)NC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=O)N=C(N2)SCC(=O)NC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C17H17N3O4S/c21-14(18-11-7-5-10(6-8-11)16(23)24)9-25-17-19-13-4-2-1-3-12(13)15(22)20-17/h5-8H,1-4,9H2,(H,18,21)(H,23,24)(H,19,20,22)/p-1