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

Systemtic Name: N-[1-(2-methylpropanoyl)piperidin-4-yl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[1-(2-methylpropanoyl)-4-piperidyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[1-(2-methyl-1-oxopropyl)-4-piperidinyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[1-(2-methylpropanoyl)piperidin-4-yl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-(1-isobutyryl-4-piperidyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

Isomeric SMILES

CC(C)C(=O)N1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

InChI

InChI=1S/C21H26N4O3S/c1-4-9-25-20(28)16-6-5-14(12-17(16)23-21(25)29)18(26)22-15-7-10-24(11-8-15)19(27)13(2)3/h4-6,12-13,15H,1,7-11H2,2-3H3,(H,22,26)(H,23,29)