methyl 6-[[ethyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]carbamothioyl]amino]hexanoate

Systemtic Name: methyl 6-[[ethyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]carbamothioyl]amino]hexanoate Openeye Name: methyl 6-[[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]carbamothioyl]amino]hexanoate CAS Name: 6-[[[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]carbamothioyl]amino]hexanoate Traditional Name: 6-[[ethyl-[(4-keto-1H-quinazolin-2-yl)methyl]thiocarbamoyl]amino]hexanoic acid methyl ester Formula: C19H26N4O3S MolecularWeight: 390.49974

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NCCCCCC(=O)OC

Isomeric SMILES

CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C19H26N4O3S/c1-3-23(19(27)20-12-8-4-5-11-17(24)26-2)13-16-21-15-10-7-6-9-14(15)18(25)22-16/h6-7,9-10H,3-5,8,11-13H2,1-2H3,(H,20,27)(H,21,22,25)