N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-4-yl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-4-yl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[1-(2-amino-2-oxo-ethyl)-4-piperidyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[1-(2-amino-2-oxoethyl)-4-piperidinyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-[1-(2-amino-2-keto-ethyl)-4-piperidyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C19H23N5O3S MolecularWeight: 401.48262

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCN(CC3)CC(=O)N)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCN(CC3)CC(=O)N)NC1=S

InChI

InChI=1S/C19H23N5O3S/c1-2-7-24-18(27)14-4-3-12(10-15(14)22-19(24)28)17(26)21-13-5-8-23(9-6-13)11-16(20)25/h2-4,10,13H,1,5-9,11H2,(H2,20,25)(H,21,26)(H,22,28)