N-(1-cyclopropylpiperidin-4-yl)-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(1-cyclopropylpiperidin-4-yl)-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(1-cyclopropyl-4-piperidyl)-3-(3-methoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(1-cyclopropyl-4-piperidinyl)-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(1-cyclopropylpiperidin-4-yl)-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(1-cyclopropyl-4-piperidyl)-4-keto-3-(3-methoxypropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCN(CC3)C4CC4)NC1=S

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCN(CC3)C4CC4)NC1=S

InChI

InChI=1S/C21H28N4O3S/c1-28-12-2-9-25-20(27)17-6-3-14(13-18(17)23-21(25)29)19(26)22-15-7-10-24(11-8-15)16-4-5-16/h3,6,13,15-16H,2,4-5,7-12H2,1H3,(H,22,26)(H,23,29)