N-(cyclohexylmethyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(cyclohexylmethyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(cyclohexylmethyl)-2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(cyclohexylmethyl)-2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(cyclohexylmethyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(cyclohexylmethyl)-2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)SC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

CC(C(=O)NCC1CCCCC1)SC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C21H29N3O3S/c1-15(19(26)22-14-16-8-3-2-4-9-16)28-21-23-18-11-6-5-10-17(18)20(27)24(21)12-7-13-25/h5-6,10-11,15-16,25H,2-4,7-9,12-14H2,1H3,(H,22,26)