7-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]carbonyl-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]carbonyl-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-allyl-7-[4-[[isopropyl(methyl)amino]methyl]piperidine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[[4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]-oxomethyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-allyl-7-[4-[[isopropyl(methyl)amino]methyl]piperidine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C)CC1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

Isomeric SMILES

CC(C)N(C)CC1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

InChI

InChI=1S/C22H30N4O2S/c1-5-10-26-21(28)18-7-6-17(13-19(18)23-22(26)29)20(27)25-11-8-16(9-12-25)14-24(4)15(2)3/h5-7,13,15-16H,1,8-12,14H2,2-4H3,(H,23,29)