N,N-diethyl-1-[(4-oxidanylidene-1H-quinazolin-6-yl)carbamothioyl]piperidine-3-carboxamide

Systemtic Name: N,N-diethyl-1-[(4-oxidanylidene-1H-quinazolin-6-yl)carbamothioyl]piperidine-3-carboxamide Openeye Name: N,N-diethyl-1-[(4-oxo-1H-quinazolin-6-yl)carbamothioyl]piperidine-3-carboxamide CAS Name: N,N-diethyl-1-[[(4-oxo-1H-quinazolin-6-yl)amino]-sulfanylidenemethyl]-3-piperidinecarboxamide IUPAC Name: N,N-diethyl-1-[(4-oxo-1H-quinazolin-6-yl)carbamothioyl]piperidine-3-carboxamide Traditional Name: N,N-diethyl-1-[(4-keto-1H-quinazolin-6-yl)thiocarbamoyl]nipecotamide Formula: C19H25N5O2S MolecularWeight: 387.4991

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCCN(C1)C(=S)NC2=CC3=C(C=C2)NC=NC3=O

Isomeric SMILES

CCN(CC)C(=O)C1CCCN(C1)C(=S)NC2=CC3=C(C=C2)NC=NC3=O

InChI

InChI=1S/C19H25N5O2S/c1-3-23(4-2)18(26)13-6-5-9-24(11-13)19(27)22-14-7-8-16-15(10-14)17(25)21-12-20-16/h7-8,10,12-13H,3-6,9,11H2,1-2H3,(H,22,27)(H,20,21,25)